39 Ord_Energy -130.535187 O -3.26989841 -3.12210727 -1.77451468 H -3.68275762 -2.53026962 -2.41508102 H -2.80594993 -3.79555941 -2.28966284 O 0.167672187 -0.833328128 -2.03133059 H 0.800775826 -0.243396118 -1.63103724 H -0.399546891 -1.16760683 -1.31403291 O -1.96541047 -5.18669510 -7.29941177 H -2.54002404 -4.55608988 -6.84488249 H -1.22945702 -4.67144108 -7.65298557 O -3.14066219 -3.33053255 -5.51392078 H -3.67451358 -2.66972661 -5.05639696 H -2.72033191 -3.85792136 -4.81782579 O 0.410256863 -3.66070342 -7.86344194 H 0.839305818 -4.13289976 -7.12712193 H 1.02990365 -3.65597916 -8.58763981 O 0.425973952 -2.96561790 -3.85453057 H 0.465717793 -2.29052782 -3.16696453 H 4.36260812E-02 -2.53469753 -4.63341904 O -0.839232922 -1.85058081 -6.09941912 H -1.67607260 -2.32434201 -5.97925854 H -0.375656635 -2.30237412 -6.81474876 O -4.17221737 -1.32575929 -3.82526350 H -4.88221121 -0.689802766 -3.81839395 H -3.34110546 -0.819766462 -3.87206483 O 1.34502947 -4.94474030 -5.64750576 H 0.718063653 -5.65978622 -5.48086262 H 1.22084856 -4.31026030 -4.92850924 O -1.50245833 -1.83748639 -0.157084480 H -2.17469192 -2.30981874 -0.678498626 H -1.66586232 -2.06534815 0.753524065 O -1.73090398 -4.71088886 -3.52574730 H -0.951404452 -4.13574171 -3.53236675 H -1.48128343 -5.51758194 -3.99221969 O -0.888697505 -6.72232962 -5.31874895 H -1.31076574 -6.26861811 -6.07047892 H -1.02840674 -7.65661621 -5.44571161 O -1.74504530 -0.113628112 -4.05792570 H -1.10699069 -0.260163307 -3.34915590 H -1.35963368 -0.510466933 -4.85047579 39 Ord_Energy -130.475296 O 4.38752413 14.0458097 -9.00114441 H 4.55671740 14.6880817 -9.68428421 H 4.03767920 13.2576828 -9.45206451 O -1.84647954 10.7457228 -8.24789047 H -2.71556902 11.0243473 -8.52280998 H -1.70698082 11.0979185 -7.34998846 O 1.48677814 12.3176403 -6.30365992 H 1.73660493 11.4379959 -5.98342562 H 2.29352427 12.8458824 -6.29430389 O 4.67675781 10.6715794 -6.39756107 H 3.92839122 10.2958117 -5.91507339 H 4.56204891 11.6289949 -6.36301041 O 3.34880090 11.7791433 -10.0844498 H 2.42431045 11.6858644 -9.81865025 H 3.79847217 10.9825525 -9.77729130 O 1.86986375 8.87874413 -8.22915173 H 2.78892183 8.88405991 -8.52267170 H 1.49305296 9.72081280 -8.52654076 O -1.18142366 11.5824366 -5.74323654 H -1.00558567 10.7760410 -5.24208260 H -0.326314956 12.0224791 -5.84398174 O 4.55206299 9.48555470 -8.84570980 H 4.68500662 9.91175175 -7.97990799 H 5.36062813 9.02559948 -9.05367374 O 4.05287600 13.4805012 -6.37824440 H 4.19926786 13.7368975 -7.30603790 H 4.47895432 14.1408453 -5.83834887 O -0.738374531 8.26225376 -7.31814337 H -1.20839882 8.99378395 -7.73835278 H 0.144657433 8.25571442 -7.71109486 O 0.832740784 11.3942070 -8.86475658 H 1.06080937 11.8200769 -8.02497768 H -0.117922008 11.2324543 -8.83963585 O -0.447215796 9.00016117 -4.71121645 H -0.601286113 8.64612579 -5.60608959 H -0.849653602 8.38979530 -4.09962177 O 2.15271235 9.70074940 -5.56230879 H 2.07480001 9.32529736 -6.45242977 H 1.36059070 9.42499256 -5.08591127 39 Ord_Energy -130.348526 O -0.138071120 12.2440224 -8.61082268 H 0.723454356 12.6814079 -8.48379230 H -0.509581089 12.5946636 -9.41564274 O 1.09906948 9.83412647 -7.81946087 H 0.561705768 10.5307703 -8.21559906 H 2.00417733 10.1786222 -7.78545570 O 2.33264518 13.2670889 -8.11616421 H 2.93366528 12.5123405 -8.06128216 H 2.43321705 13.7439146 -7.28312445 O 2.18354273 7.41640854 -6.82351494 H 1.67442870 8.09879971 -7.28128767 H 1.89595962 7.44171667 -5.90218067 O 3.67982459 10.8729429 -7.43778324 H 4.19685650 10.0624409 -7.35832405 H 3.50992107 11.1724424 -6.53144550 O 4.75151253 8.33686256 -6.82179213 H 5.37599611 7.70984173 -7.17584610 H 3.87292910 7.91880608 -6.87132263 O 0.543899059 10.2887764 -5.11452723 H 0.751796365 9.47746944 -4.63587570 H 0.670776069 10.0871325 -6.05367851 O 3.04057505E-02 14.8152037 -4.82578278 H -0.399476796 14.0195951 -5.18587160 H -0.634714186 15.2686462 -4.31624603 O 2.61538839 14.4000015 -5.49088287 H 3.14674854 15.1608772 -5.27184582 H 1.70156109 14.6079960 -5.22685528 O 4.05424118 9.16383076 -4.15124702 H 3.82638717 10.0973988 -4.26054525 H 4.45505905 8.88717079 -4.98467493 O -0.976422966 12.5290136 -5.88585949 H -0.817428172 12.4542351 -6.83484983 H -0.580988109 11.7420673 -5.48818445 O 1.63313568 7.91714382 -4.04416943 H 1.52831495 7.35902548 -3.27871227 H 2.52037907 8.31531143 -3.98480821 O 2.97399592 11.6741915 -4.85719156 H 2.88754940 12.6297903 -4.95726109 H 2.08041644 11.3011703 -4.86712980