78
Coordinates from ORCA-job /scratch/magstr/orcajob__5668068-U8TB/orca
  N   -2.54408513183216     -3.75308652660692      2.77469119422378
  C   -2.01435037099813     -4.66535626937558      1.74317540023673
  C   -2.09458266525988     -6.09441842547023      2.24261496851944
  N   -3.40773136759487     -6.32002618776299      2.91791277598473
  C   -4.50296338592378     -6.60469003809831      1.94345577087883
  C   -5.83598891919192     -6.42333474670840      2.64708707604611
  N   -5.73726169133935     -5.22042809166206      3.48520401564235
  Mo  -3.97520849799380     -4.47264324794273      4.02001906654670
  N   -3.11401248567271     -5.53510951775417      5.46068598144987
  C   -2.59244632466714     -6.88231336668321      5.16450577767585
  C   -3.30507062552034     -7.41027397459078      3.93834963826847
  H   -2.75306016764721     -7.57945979070010      5.99820530761058
  H   -1.50043425987946     -6.81447208309674      5.00805144639857
  H   -4.32419978692884     -7.70306240928615      4.21726465223850
  H   -2.79171509877911     -8.28418849136617      3.50634305124489
  H   -6.63443341669635     -6.32604231685009      1.89874531764211
  H   -6.08919226981510     -7.29687191407563      3.27503194016979
  H   -4.41157595984412     -5.87819453727737      1.12470497965364
  H   -4.38771682248651     -7.62009385826377      1.53015696259483
  H   -0.97082916865265     -4.42573835277440      1.48893488024184
  H   -2.60170491943955     -4.53266465811933      0.81680324886249
  H   -1.30887788709017     -6.26567404611664      2.98960447166913
  H   -1.95996846875218     -6.82083890581896      1.42529284322737
  C   -2.04189432320343     -2.45206260976682      2.77486761527256
  C   -0.64688536190767     -2.25007580803047      2.81449767990891
  C   -0.09556804336131     -0.97129321442696      2.84375968642718
  C   1.37713676412881     -0.75862564674197      2.88686993845332
  O   1.90489570374815      0.33536513899971      2.94262345157701
  C   2.28250912444734     -2.00806831412995      2.89589919481968
  O   2.24051963188244     -2.86206695148446      3.73462984527676
  Cl  3.45352779242250     -2.00416497007886      1.56522039347012
  C   -0.92620432272892      0.16651249571546      2.81435361056478
  C   -2.29422580417214     -0.00086353047722      2.74319749911387
  C   -2.87204637921224     -1.29054280319368      2.71865258523758
  C   -4.31250054065900     -1.43232769256993      2.56502360030343
  O   -5.00213266087988     -2.41810846975003      2.74404299101539
  F   -4.93351213134907     -0.29476807145121      2.16040296833800
  C   -6.92925834614195     -4.65135888981755      3.98044031749371
  C   -7.15234992331534     -4.75954500551770      5.36338378391700
  C   -8.24120310443609     -4.14376673593302      5.98694707332389
  C   -8.41820321838858     -4.19010375148067      7.45982644732530
  O   -9.44626672524853     -3.90085589579139      8.04143636729797
  C   -7.15051752986511     -4.46033443514323      8.30685764073191
  O   -6.08881816411868     -3.93130007922536      8.10642955424844
  Cl  -7.39629293305642     -5.65066408451796      9.57751508297478
  C   -9.18835249036386     -3.45336368560938      5.21228601837538
  C   -8.99109811175048     -3.34346744193369      3.84547580479344
  C   -7.86750021954199     -3.90853897273015      3.20816583899360
  C   -7.75790830393270     -3.57980261564734      1.76455932961793
  O   -8.48666958551932     -2.86845604400210      1.13693507086292
  F   -6.69717207452692     -4.17445578026948      1.12651000859153
  C   -2.81188919935222     -5.01495930099504      6.73579169307593
  C   -2.01906681617375     -3.86102646216165      6.81138480222619
  C   -1.70153057875030     -3.26616872395832      8.03670236629121
  C   -0.91977863802324     -2.00609743955455      8.09135536920441
  O   -0.52657878229822     -1.47144133296101      9.11047400682931
  C   -0.63067115077193     -1.30910771005717      6.74612002714848
  O   -1.48564395417623     -0.85999791911453      6.03292242450280
  Cl  1.09477816057758     -1.18764209605486      6.39265404143024
  C   -2.11199763912065     -3.86680862890454      9.23647106394119
  C   -2.87486385082461     -5.02342270084642      9.18688057800055
  C   -3.26496975828041     -5.58891505393675      7.95750838147417
  C   -4.26991116711229     -6.67089087566034      7.96827946986817
  O   -5.01384964324163     -7.01712196403489      7.08905530163851
  F   -4.29391202026038     -7.33724316576211      9.16303666233308
  H   0.00009880287825     -3.12485229158356      2.87442106260718
  H   -0.47567929996515      1.15812166493041      2.84116154445399
  H   -2.94838698639599      0.86927013756607      2.70590991104622
  H   -6.44275330166496     -5.36018686116261      5.93524538153913
  H   -10.04714692200508     -2.98908976216165      5.69720645975702
  H   -9.69484014774579     -2.78101080800538      3.23140225897916
  H   -1.64552738106244     -3.44612083661767      5.87296092823850
  H   -1.84119458768596     -3.40990570385924     10.18831905149029
  H   -3.22862135376089     -5.47980877296976     10.11019473003559
  N   -4.63705977268940     -2.83487063329593      5.45799260344468
  H   -5.43786354918787     -2.32246230668856      5.07268361908728
  H   -3.91229261668410     -2.13167907355214      5.65205927387766
  H   -4.94611487316604     -3.19280275719103      6.37167182212520
