 H Mo  S 
 1.0000000000000000
    12.3987999999999996    0.0000000000000000    0.0000000000000000
     0.0000000000000000   12.7219999999999995    0.0000000000000000
     0.0000000000000000    0.0000000000000000   20.5799999999999983
 H   Mo  S  
   3  24  44
Cartesian
  8.2443900000000347  0.0318700000000180 11.7650499999999987
  8.7761699999999720  4.9620800000000438 13.2807199999999277
 10.3657000000000252  3.1314600000000228 11.8020999999999550
  3.1091999999999840  6.3784200000000224 12.3580100000000677
  9.2908499999999936  3.2045799999999813  8.8572900000000683
  9.2958700000000380  4.8236100000000040  6.2756800000000368
  3.1137899999999736  1.6094899999999908  9.6734400000000029
  9.2404199999999790  4.5927100000000385 11.6567299999999960
  3.1117599999999981  3.1901599999999997 12.3465799999999390
  3.1155399999999589  0.0197600000000078  6.8512899999999890
  9.3581100000000035  0.0147799999999783  8.7915400000000368
  9.2985400000000187  1.6406700000000289  6.1891400000000480
  3.1129000000000104  4.7899099999999804  9.6822100000000457
  3.1187700000000085  3.2022200000000152  6.8555200000000447
  9.3067400000000333  1.5575999999999568 11.4795699999999865
  3.1148300000000031 11.1506199999999573  9.6758800000000633
  3.1146800000000270  0.0223499999999674 12.3401699999999348
  9.3102199999999549  9.5927099999999985  8.8690999999999782
  9.4138699999999957  8.0854400000000268 11.5928499999999861
  3.1139100000000077  7.9705500000000207  9.6815599999999815
  9.3924500000000091 11.2764299999999569 11.4917599999999727
  9.2884900000000350 11.1221800000000446  6.1845399999999371
  3.1114999999999697  9.5669499999999967 12.3512199999999890
  3.1214999999999620  6.3811200000000055  6.8619300000000480
  9.3487500000000150  6.3602900000000391  8.9657300000000326
  9.2908999999999846  7.9391399999999894  6.3024800000000294
  3.1214399999999882  9.5605900000000066  6.8571499999999963
  7.7455800000000030  1.5573400000000388  9.7051400000000108
  7.9044799999999604  2.8984699999999552 12.6949400000000345
 10.8926700000000434  1.6357899999999894  9.7160799999999785
  1.5730599999999828  3.2019600000000072  8.7237900000000028
  4.6583800000000375  3.2024099999999587  8.7297300000000320
  1.5416700000000352  1.6061899999999822 11.5234300000000633
  4.6861999999999737  1.6114000000000044 11.5238599999999511
  1.5458500000000213  4.7888499999999690 11.5383299999999522
  8.4978899999999786  9.7316299999999920 12.9699500000000558
  4.6656300000000277  4.7933800000000444  5.9275000000000304
  7.7442500000000036  0.0199200000000274  6.9787200000000418
  7.7164199999999994  3.2101500000000018  7.0141400000000473
  4.6765400000000321  4.7880900000000128 11.5430299999999821
 10.7035300000000433  0.0885099999999983 12.6826000000000221
  7.7366800000000122  4.7902100000000400  9.9091900000000592
 10.8741299999999868  3.2118999999999955  7.0162999999999505
  4.6558300000000035  0.0191899999999966  8.7219500000000458
  1.5716899999999723  0.0185500000000109  8.7214100000000681
 10.8940699999999975  4.7507900000000127  9.8899400000000046
 10.8846100000000252  0.0160500000000061  6.9138499999999770
  4.6616000000000177 11.1504100000000346  5.9202399999999766
  7.7264100000000102  6.3718599999999626  7.1382500000000730
  1.5749700000000131  7.9700300000000039  5.9285799999999824
  4.6600699999999611  1.6121099999999648  5.9204600000000047
  1.5730900000000139  6.3802000000000314  8.7303999999999906
  4.6581600000000192  6.3802099999999760  8.7381099999999758
 10.8752899999999588  9.5640899999999949  7.0066300000000483
  7.7610600000000378 11.2019500000000161  9.7938599999999489
 10.4080300000000090  6.4331800000000046 12.7676699999999634
  4.6842900000000309 11.1509500000000319 11.5320599999999533
  7.7197900000000441  9.5598599999999756  7.0546899999999741
  1.5688499999999665  1.6122000000000098  5.9255900000000716
 10.9427799999999689 11.1420499999999851  9.7548599999999492
 10.8860800000000193  6.3742899999999931  7.1072900000000265
  4.6684700000000321  7.9691400000000447  5.9300699999999278
  7.7909399999999795  7.9720599999999866  9.9465100000000035
 10.9255100000000258  8.0471499999999878  9.8343899999999778
  1.5757100000000015  9.5599000000000256  8.7246900000000114
  4.6603299999999903  9.5590500000000258  8.7325400000000002
  1.5459300000000435  7.9703299999999722 11.5381899999999469
  4.6759699999999826  7.9706000000000152 11.5427399999999523
  1.5439999999999630 11.1535399999999907 11.5284799999999592
  1.5716499999999618 11.1488600000000186  5.9243300000000296
  1.5728399999999660  4.7937300000000080  5.9273600000000251
