 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  
   4  24  44
Cartesian
  8.2956052176680846  0.0693993975887810 11.6023124365762307
  8.2899809598074015  6.2831065507366368 11.6039352986148465
 10.4680945415603741  3.1748164954704561 11.5902272062970475
  9.9073370147863304  9.5318728873218053 12.7225172761182321
  3.1242986719645605  6.3190402206771816 12.3507527297284803
  9.2935110700963044  3.1802180817364500  8.6326531821597250
  9.2689279108301061  4.7906159247585753  6.0861563405750934
  3.1191995833315085  1.5910878514272992  9.7836459654858992
  9.3643044159668953  4.7170727362229483 11.3675998529876043
  3.1178922713483206  3.1746278147142220 12.4260067836606289
  3.1508704257528266 -0.0022593234283441  6.9838631043439570
  9.3493880019031277 -0.0058380929915884  8.6654693455652190
  9.2707279768238156  1.5731436692297391  6.0842485644377966
  3.1181339333974671  4.7627700162486049  9.7920613140083823
  3.0828878843617677  3.1805187949983451  6.9716256424845584
  9.3717244065473029  1.6336416926645767 11.3630210256137953
  3.1221859055222416 11.1394862889194357  9.8167857977163013
  3.1108416024342378  0.0241368014922346 12.4392716618595678
  9.3076085045185675  9.5412168606302235  8.7490909848157781
  9.3908232398383955  7.7930804638269624 11.3893630620412551
  3.1223451963956617  7.9511369206015994  9.8433588537608365
  9.3963110893912667 11.2855837824941894 11.3821103273697819
  9.2739032435514197 11.1165258521602368  6.1341130408449995
  3.1055918005149161  9.5702010134706370 12.3632193387962328
  3.1518313264404139  6.3629986919326553  6.9839575871188337
  9.3476720339656438  6.3662959868925570  8.6724967661733920
  9.2736117106466356  7.9614827260103294  6.1362675356800098
  3.0897378511492883  9.5413162196578511  6.9981568523109701
  7.7783069167790764  1.5721424464688083  9.6203889578281832
  8.1073610497246982  3.1688743453299231 12.6024002605492420
 10.9007897452845075  1.6229379293314163  9.5620071763555039
  1.5689543445088676  3.1809477401625528  8.8410824022739849
  4.6593621284078468  3.1800047821023814  8.8161785524732945
  1.5366388350726807  1.5986641975458560 11.6206262665643951
  4.6970170587656579  1.5943394909489506 11.6288847431093281
  1.5091617844379022  4.7310833166860764 11.6190240527756075
  8.4508775155557831  9.5461368960306388 12.7627532661546450
  4.6351791709547285  4.7829020929014145  6.0229911878609581
  7.6840761909901216 -0.0047650052030583  6.8746335273264769
  7.6656774855911287  3.1806933824034140  6.8089003468902822
  4.7313678259421259  4.7241357531531678 11.6176466361140989
 10.6553130475375770  0.1070311368064650 12.5935300253992324
  7.7761053448309179  4.7843734511629465  9.6222313508347881
 10.8798308343179766  3.1818531610014125  6.7773057656327564
  4.6696812668098193 -0.0045525441369456  8.8566723433276842
  1.5801510215293197 -0.0038458372928432  8.8325438023628262
 10.8962976420259778  4.7363808245558143  9.5697094739817512
 10.9080993024496848 -0.0048542564297147  6.7910124130882883
  4.6381292307673343 11.1332184197412154  6.0352622399213312
  7.6804407832763806  9.5400273604799377  6.9242855159237751
  1.5953357662643164  7.9621861599445305  6.0463557815331770
  4.6344709966750601  1.5779407108148984  6.0229878410892059
  1.5826382351574344  6.3714147203142799  8.8431666051426880
  4.6675699473756875  6.3710134719553482  8.8659575494835465
 10.8897765534842588  9.5395356913057601  6.8649819227994984
  7.7623714222678508 11.1633780440422754  9.6927189616822567
 10.6367798020707127  6.2438658941147080 12.6069632076874889
  4.7216131248294424 11.1736347438831487 11.6625227272476018
  1.5924605519141175  1.5938427401512405  6.0332592129011298
  7.6827618535048012  6.3652466932772365  6.8815963582266253
 10.9174291585138157 11.1205252841019231  9.6483658225825675
 10.9065265263147460  6.3640067462441383  6.7990865639095954
  4.6390170956034140  7.9495621023283478  6.0359030923713286
  7.7614873973396081  7.9204325833019329  9.6970099515300188
 10.9133245195250073  7.9621401959344817  9.6597234762487734
  1.5744898555610309  9.5359436317050292  8.8820056905413196
  4.6592054369943829  9.5365852894826588  8.8620908357761152
  1.4840383600808595  7.9378111183482751 11.6978772680326379
  4.7515649072407626  7.9560735137123002 11.7132755653985487
  1.5022092538632967 11.1805205415205346 11.6432029550197473
  1.5946985124630457 11.1205282099093861  6.0464014725153028
  1.5934105994986685  4.7675998601592493  6.0327355657792072
