76
Coordinates from ORCA-job /scratch/magstr/orcajob__5668063-HdzN/orca
  N   -2.58764582419979     -3.82008378437603      2.67391805034316
  C   -2.17502440119280     -4.66313498969043      1.55347838001417
  C   -2.27148569090310     -6.12002127914710      1.96621276947168
  N   -3.51548471450069     -6.33826675822217      2.75766162645773
  C   -4.67325914281115     -6.65717813349662      1.89192398972969
  C   -5.94488649710444     -6.44275779545470      2.68933273837002
  N   -5.77688550946431     -5.26723000297114      3.54117975952260
  Mo  -4.06018669698086     -4.37827634147791      3.96196205924992
  N   -2.99763672211331     -5.49903543925095      5.24528918275137
  C   -2.50454866885772     -6.83603840171682      4.93116116161852
  C   -3.30473361883695     -7.39940685874972      3.77483547124896
  H   -2.63321848929930     -7.49366047866317      5.80502073161139
  H   -1.42068348456129     -6.80648276329696      4.70819664288673
  H   -4.28625688885329     -7.71954802566600      4.14565176729646
  H   -2.80038126243369     -8.26591328911459      3.31511610328128
  H   -6.79400781640765     -6.30970355553585      2.00794096408679
  H   -6.17669150305004     -7.31255155588834      3.33108677973647
  H   -4.65929442950716     -5.96610923774268      1.03715343337748
  H   -4.59064863974098     -7.69128901007295      1.51665574710224
  H   -1.14060052912448     -4.42811210857571      1.25360740575995
  H   -2.81986190015743     -4.45826540649353      0.67779111656497
  H   -1.42026963187260     -6.36972951780078      2.61193978178459
  H   -2.25962858197665     -6.79419740555779      1.09425779187715
  C   -2.06688487384134     -2.52595566069017      2.73519117991662
  C   -0.69789148236256     -2.34515764058427      2.92545896253800
  C   -0.13394076938391     -1.06881682105349      3.01134377898384
  C   1.28559450063657     -0.87777984762725      3.39267477488897
  O   1.96159716396236      0.07793835644195      3.02054086829251
  C   1.83022167332652     -1.90855498714549      4.37993498253797
  O   1.18033608463947     -2.72185287148161      4.99777847577905
  Cl  3.59429604904898     -1.74980887310516      4.63760331037285
  C   -0.94072117833537      0.06484685347114      2.76807799980052
  C   -2.30127488435126     -0.08896665908951      2.58467567748426
  C   -2.89699394722930     -1.37152071381654      2.61433564957976
  C   -4.32264551773395     -1.55278114499335      2.56608064592736
  O   -4.96125273663068     -2.56793870434609      2.83699959059761
  F   -5.04101322888722     -0.45687991947414      2.22557941840323
  C   -6.94659102020903     -4.61082018605227      4.01395975907907
  C   -7.06763014124585     -4.57198698331763      5.41387282206654
  C   -8.12923872583312     -3.91314744467395      6.03344056277267
  C   -8.34149651081185     -3.92116735180239      7.50334218564472
  O   -9.42524400075629     -3.67670289458438      8.02255866338926
  C   -7.10806058399580     -4.18788755892293      8.38128017263161
  O   -5.95584399493833     -4.13099225772783      8.02865231596001
  Cl  -7.53690724120649     -4.52940484312371     10.08151492396079
  C   -9.10289593126913     -3.26906606437492      5.23556691338413
  C   -8.99071883363461     -3.29531401925698      3.86304511240199
  C   -7.91056365550541     -3.94977907374864      3.21684639099736
  C   -7.88689606946082     -3.77641524841886      1.75413494560091
  O   -8.73783909874333     -3.29365146173798      1.06143526022204
  F   -6.71752302492119     -4.20626914644912      1.14929988451798
  C   -2.55150965557257     -4.95932518330554      6.47233356982841
  C   -1.62357191026672     -3.91084083095065      6.45590741355238
  C   -1.17549212393088     -3.32778857413225      7.65055998260860
  C   -0.30560405289089     -2.11973020569086      7.67087393976851
  O   0.57447916789232     -1.93819567689058      8.49690785003954
  C   -0.68597518813040     -1.02694254693993      6.65147150772055
  O   -1.64340472125501     -1.03441970681216      5.92690108389509
  Cl  0.44628898010520      0.36277443392549      6.69225170750462
  C   -1.58359877078584     -3.85846318736375      8.88346040928080
  C   -2.50405427080101     -4.89396248726914      8.91599343544402
  C   -3.02803623201941     -5.43531654953494      7.72812012463443
  C   -4.14409647904400     -6.39214885978011      7.79858400764414
  O   -4.82117451876567     -6.85167414867335      6.91988789469446
  F   -4.41562020835543     -6.76712490605257      9.09805889241414
  H   -0.07491074575200     -3.23098800337200      3.03853383627164
  H   -0.48276572995884      1.05345278784559      2.79062706666191
  H   -2.94020080668102      0.78485033062113      2.45843161235629
  H   -6.41346569075564     -5.22750506434175      5.98149030605234
  H   -9.93756036364975     -2.76915572817792      5.72683243026952
  H   -9.72220265898540     -2.79107267354368      3.23197342729679
  H   -1.21233753869075     -3.55888017813781      5.50817448463732
  H   -1.19972640877074     -3.42253816533558      9.80610442484287
  H   -2.86278925561106     -5.27121685166936      9.87194958107396
  N   -4.71968887140058     -3.45951085744971      5.27887351559676
  H   -5.01814532230116     -3.01096386032100      6.14837981403582
