86
Coordinates from ORCA-job orca
  N   -2.57268655108560      1.69400925521990      5.65580380441924
  Mo  -4.01644314265890      2.54251016024400      6.65423747696896
  N   -4.65056009913791      1.45115798900207      8.17557394274426
  C   -3.86670099070677      1.45970016108394      9.41733323051598
  C   -2.41180484120276      1.79645877715316      9.09756657140707
  N   -2.34912474528343      2.88588116390789      8.07570825043149
  C   -1.11133209461334      2.79719268107858      7.23700497643992
  C   -1.23353275312482      1.65551974188457      6.22435476321655
  C   -2.54362238875714      4.23770567502070      8.67321463238830
  C   -3.06136594429929      5.20342594326997      7.61301760326319
  N   -4.10833692541312      4.54209332408613      6.82617792108337
  H   -0.45802308372010      1.79111084352189      5.44765268584151
  H   -1.03849770058485      0.67359294490590      6.69998185677074
  H   -1.02858777721610      3.74879527246766      6.69512230398809
  H   -0.22122060129331      2.67702869841317      7.87819155595288
  H   -3.46630300969184      6.10073477259733      8.11986551823792
  H   -2.23425285146982      5.55245733110248      6.96694454221467
  H   -3.29725537910345      4.12296796285456      9.46499823884658
  H   -1.60748210404531      4.59945955328174      9.13334102911170
  H   -3.89141341649707      0.47400597861182      9.90848383647471
  H   -4.29023136586092      2.18964420889495     10.13500314774508
  H   -1.94140785237946      0.91007625024072      8.65330658502712
  H   -1.84174568636756      2.08616801406807      9.99764986733310
  C   -4.71895566438023     -3.82957337003672      0.10252009595363
  C   -4.07250521500849     -2.81678164794079      1.02477494864602
  O   -2.85063191679246     -2.69072216816901      1.05032324522510
  C   -4.95694076202460     -1.97111522539936      1.88282573294541
  C   -6.36149343067505     -2.06427542064946      1.84099120915025
  C   -7.12490693670036     -1.22370596033819      2.65724601012007
  C   -6.50120823050451     -0.31509846062462      3.49150981946474
  F   -7.29854919544175      0.46062734733909      4.27171587398668
  C   -5.08555066166091     -0.17448275232785      3.57964025886359
  C   -4.40756761312325      0.72630997389841      4.45148984384310
  O   -5.04346902879864      1.59447709801632      5.21118946839269
  C   -2.90519130866912      0.72083087954548      4.62242759414520
  C   -4.35105131834347     -1.05322303207582      2.74111754098167
  C   -3.52978156104029      9.66567071929251     -0.34366368640337
  C   -3.05703649934098      8.72999921361803      0.74625106906594
  O   -1.88614232134744      8.36993305827112      0.80696275183932
  C   -4.05732206269449      8.24986908771028      1.75417396963693
  C   -5.39504442144630      8.68367339411007      1.75601978787145
  C   -6.28406500198972      8.21542157488243      2.71722751484347
  C   -5.83161233324542      7.31306612365512      3.67426529019924
  F   -6.73865797183668      6.88385042949437      4.58478976085918
  C   -4.50848068228458      6.84277968345848      3.71320665378126
  C   -3.94174617948769      5.85421477761025      4.69949586559742
  O   -2.81164874123773      5.41479941625685      4.52718873745777
  C   -4.78282656864809      5.41620125677186      5.90247592797150
  C   -3.64285797311056      7.33756544373938      2.72771576984314
  C   -5.89443608162406     -5.65604113900668      3.38386471330367
  C   -5.11489118694367     -4.66275238904676      4.21818303336335
  O   -3.88998444549329     -4.62171601844476      4.16740277518736
  C   -5.87827853705697     -3.73916065367043      5.11429201985061
  C   -7.28108926156787     -3.76682163529758      5.20011099844285
  C   -7.95197540073166     -2.89116100359444      6.04699236136839
  C   -7.21471379127581     -1.98092903765093      6.79518178216120
  F   -7.90659055167413     -1.16064670159105      7.62464653765838
  C   -5.81381441119637     -1.90688307172293      6.74233335707293
  C   -4.96340246352840     -0.91676816851685      7.47879998456253
  O   -3.75740348086087     -1.11609375061313      7.59817189343556
  C   -5.60303462769682      0.37371921133362      8.00970832335375
  C   -5.17162346660647     -2.81615471234545      5.88869180348532
  H   -3.93570290318043     -4.37660903631385     -0.43274073636820
  H   -5.34194567986888     -4.53770127013993      0.66776188507848
  H   -5.37715024102470     -3.32641119701575     -0.62219496463021
  H   -6.86056765880529     -2.77050673110965      1.17881528695668
  H   -8.21467701845449     -1.26908259442069      2.66128980571349
  H   -2.39013860094688      0.94804354884504      3.66629759987147
  H   -2.56239953562083     -0.29033725245082      4.92493422629600
  H   -3.26147031159767     -1.02371704384873      2.74644394535204
  H   -3.93332087098333     10.59451666423078      0.08788667074158
  H   -4.33812162217717      9.20412827321687     -0.93097475025012
  H   -2.68775571692112      9.90501686033830     -1.00140782770011
  H   -5.75066166173169      9.39128266028729      1.00699015441900
  H   -7.32638617105414      8.53413347886544      2.73968885143252
  H   -5.15424321441334      6.33365909957831      6.40542530379083
  H   -5.68224007437193      4.91636670673392      5.50266647843973
  H   -2.60916589056876      6.98883145512464      2.72888748926793
  H   -6.45895851630307     -6.34679024419197      4.02895076787896
  H   -5.19602261459120     -6.22692485853678      2.76299337897239
  H   -6.62468218989384     -5.13859827330313      2.74395862903804
  H   -7.85953795741331     -4.47278854244496      4.60474972228666
  H   -9.03809067351649     -2.89935843783762      6.13985248283110
  H   -6.11501722166940      0.12457276656276      8.96031543779969
  H   -6.39354866740734      0.68531184102710      7.31274783356976
  H   -4.08363537688187     -2.78592094604883      5.82154635126171
