76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670603-C6Nx/orca
  N   -3.36989840627371     -3.51286133544774      2.30045522709977
  C   -3.65412638100540     -4.23371886855949      1.05325243009161
  C   -3.51116418049614     -5.72008775800925      1.32836307164786
  N   -4.20603072265707     -6.06335645889138      2.59991726871817
  C   -5.68519378513378     -6.13874155867423      2.42534888675241
  C   -6.36170334227183     -5.85961492389090      3.75631896408665
  N   -5.74625537632035     -4.64984921423118      4.33162889839458
  Mo  -3.82700754235075     -4.36360847915155      4.03253829532452
  N   -2.73760456888447     -5.82606388979335      4.90502740583455
  C   -2.44967128573276     -6.98114223269339      4.04795169374263
  C   -3.66684412507355     -7.32133288410807      3.19246520930942
  H   -2.14698136879914     -7.85515280851577      4.64683495224260
  H   -1.59361307548412     -6.72284667252419      3.40504047797845
  H   -4.45441942291566     -7.75357760159644      3.82313334835599
  H   -3.43080632659491     -8.05106804367763      2.39911236142022
  H   -7.44012573912247     -5.70435739169251      3.59099863301040
  H   -6.26337480131312     -6.72310604535494      4.44116236586010
  H   -5.97418230166091     -5.35807672812601      1.70860646673159
  H   -5.97551650508820     -7.11866838585834      2.01012388464584
  H   -2.94111393972958     -3.93583342823633      0.26565148433082
  H   -4.66516402054029     -3.99552213076736      0.67289013534412
  H   -2.44774844254114     -5.96020800531485      1.46616852496176
  H   -3.89985662253023     -6.32901664710907      0.49425541547233
  C   -3.36212018156382     -2.09533614937731      2.21892576492275
  C   -2.21051222876642     -1.39310909916069      2.62832479445095
  C   -2.18590604350588     -0.00253836811505      2.66442044746211
  C   -3.32547401413430      0.69323370838670      2.28481976661674
  F   -3.30079806249781      2.04798669968751      2.32662723732140
  C   -4.49262293160216      0.03933858436368      1.86573384965639
  C   -5.74122887622276      0.74804440983735      1.54138332776095
  O   -6.76823371282008      0.19448208100802      1.16685618009675
  C   -5.85347191754204      2.28136436965628      1.64273646944978
  O   -5.80084254198958      2.99733875249927      0.67288906078791
  C   -6.14361690013843      2.80935702620969      3.07205678480686
  O   -5.83491406451316      2.21297627590408      4.06026129099987
  Cl  -6.91997676782169      4.40572839331375      3.08639957433135
  C   -4.48504907608171     -1.36560889646583      1.82103929399581
  C   -6.55821142722041     -3.91630328199094      5.22827281431272
  C   -7.07207955868495     -4.50458709103179      6.40347626019737
  C   -7.82082573337116     -3.75826407214587      7.31083047569461
  C   -8.06551089042513     -2.41808134363828      7.04033294088669
  F   -8.81530230315547     -1.70255016213806      7.91274529670143
  C   -7.59344212012416     -1.80379684135885      5.87154610012025
  C   -7.89725619501704     -0.41292991773398      5.51334940708329
  O   -7.81484052140973      0.04602690095823      4.37867925546256
  C   -8.17616593667075      0.66201103427269      6.56988379981726
  O   -7.40849033389904      0.91398120454989      7.46620933176629
  C   -9.44038866953386      1.50203717472304      6.27125953753695
  O   -10.43796352278808      1.03387374846861      5.80938679770223
  Cl  -9.30014186541257      3.19385000865470      6.80059797321393
  C   -6.84751271884961     -2.57846259402103      4.96820396826747
  C   -3.16357487003343     -6.05207166496711      6.22165492941147
  C   -2.94886329311167     -5.03547237629392      7.18544790901110
  C   -3.45839860046511     -5.13077447254458      8.47463672290578
  C   -4.18316726839821     -6.26255754259255      8.82279253200553
  F   -4.69396751222970     -6.34806840795954     10.07970018567973
  C   -4.39033028067605     -7.31672706743976      7.92372884012132
  C   -5.19399049064030     -8.50476222950565      8.25119272981315
  O   -5.35861258576138     -9.45273866435110      7.48886579483530
  C   -5.90994803396886     -8.61473244843997      9.61196238193976
  O   -5.57015426975943     -9.39105759294733     10.47170256162909
  C   -7.18396115995182     -7.73971684322081      9.70269715440584
  O   -7.56175163102017     -7.04738848995782      8.79877750693717
  Cl  -8.02183529610754     -7.86389860796597     11.25677734085926
  C   -3.85710526193125     -7.20432310990394      6.62823700605315
  H   -1.33697901581849     -1.96545157008285      2.94355402242849
  H   -1.30157601480217      0.54626662239078      2.98769732186008
  H   -5.40580324135088     -1.86708868002191      1.51797030755093
  H   -6.86122262806516     -5.55166268767698      6.62334968991321
  H   -8.21593668731677     -4.20858610301973      8.22169127609319
  H   -6.48037571565725     -2.10411355175324      4.05723686455496
  H   -2.35835694340173     -4.16549681062663      6.90154796909020
  H   -3.29384815913135     -4.34294296396169      9.20945946671239
  H   -4.05327793406886     -8.02870882845094      5.94351750931124
  N   -3.62933724248079     -2.75641439767974      5.17022019271874
  N   -3.56168246556603     -1.80204657411589      5.79050458137601
