75
Coordinates from ORCA-job orca
  N   -1.57119312533091      1.43967636845399      5.10039555176539
  Mo  -3.29983870599269      2.56789789849761      5.01407608314047
  N   -4.79002686966315      2.09968620838625      6.26179029469117
  C   -4.55235906506825      2.03861290348146      7.70734215118408
  C   -3.04822154170559      2.01979482384219      7.93804056401609
  N   -2.40416991843309      3.00398385529052      7.01806665102595
  C   -0.91997070373109      2.84154432770269      6.93284763747790
  C   -0.53921316794081      1.60313023030189      6.12246228218042
  C   -2.72854061000690      4.41698370014841      7.39915971435171
  C   -2.63075515776021      5.29433620380299      6.16657331326435
  N   -3.32417698876488      4.59438022471562      5.07408170206091
  H   0.45231894229715      1.75904164842884      5.67068121465891
  H   -0.48540825106981      0.70274313948779      6.75202833062459
  H   -0.53870419057063      3.73771546254642      6.42737966522207
  H   -0.48381638877587      2.81290965249651      7.94357477973229
  H   -3.10803073404114      6.26712157953267      6.34758491576753
  H   -1.58798119947069      5.47930201913114      5.86853815131467
  H   -3.75901291886573      4.43622592437556      7.77237547084284
  H   -2.05948923627245      4.74810638583716      8.20886733579693
  H   -5.01389071339356      1.13145292362464      8.12641750690239
  H   -5.04642415216683      2.89334767923337      8.19544937003168
  H   -2.63856439292490      1.02920387352315      7.69644697633012
  H   -2.79556637869675      2.25055790627105      8.98544039890352
  C   -2.04305911808885      0.24735885186721      4.70579158374470
  N   -3.31049533377126      0.37740277379521      4.35568396459032
  C   -4.12508176879454     -0.51735663094830      3.66286510466041
  O   -4.93184359394786     -0.06202978183500      2.84674386220149
  C   -4.02167916088952     -1.96781239604230      3.96348756969113
  C   -4.41325165515778     -2.89032608332566      2.98067227635145
  C   -4.34418037076391     -4.25483316683486      3.24692824133532
  C   -3.90763957816900     -4.71662642976437      4.49262892111569
  C   -3.54093414168126     -3.78925963167774      5.46887560902691
  Br  -2.97457834111658     -4.39736925768869      7.18267851129591
  C   -3.58749319203952     -2.42069763931480      5.21994497474824
  C   -4.40221396224164      5.21764079565710      4.51054874836296
  N   -4.91426106550840      6.32692311456900      4.93462361965346
  C   -6.01623777991586      6.79353494843815      4.18605241294530
  O   -6.07743194727688      6.69667847834967      2.96114883810739
  C   -7.10406450732699      7.40688319145885      4.99814169344541
  C   -8.28410427031412      7.81027275825355      4.35486173467701
  C   -9.33526825530765      8.33919454877763      5.09741223867229
  C   -9.22678544754238      8.47533601409924      6.48488305842607
  C   -8.04632414432759      8.07545774336856      7.11074047602674
  Br  -7.87871094549367      8.26928788440292      9.00341339928277
  C   -6.98344431856504      7.54149045473858      6.39005538312246
  C   -6.04071211783442      2.36334058503380      5.80350328894139
  N   -7.03004620429451      2.67504440839940      6.58534622054688
  C   -8.23428616972068      2.97767342979391      5.90705863796089
  O   -8.51795997687195      2.54829979359655      4.78979970001425
  C   -9.13597473620261      3.89240829795314      6.66423922451223
  C   -8.93136693458696      4.18692110030543      8.02064663936418
  C   -9.79992709337895      5.05258606030476      8.68297492837444
  C   -10.86420882470876      5.64646742856109      8.00223003061866
  C   -11.05099638509760      5.35020026977174      6.64982941502277
  Br  -12.49202859649363      6.17514792771946      5.71046599430001
  C   -10.20925827617925      4.47731088133351      5.97312801991408
  H   -1.44430542430751     -0.67453717557101      4.68538188225584
  H   -4.76471608215432     -2.52226288539764      2.01693455878626
  H   -4.63611764692478     -4.97610013195462      2.48271828628913
  H   -3.86129392684841     -5.78469500590552      4.70418946911704
  H   -3.33184534871879     -1.71563861476281      6.00976003874045
  H   -4.88515540275804      4.68076275813765      3.67987163401242
  H   -8.35954566438960      7.69307213076022      3.27387859657767
  H   -10.25835948534718      8.64352154652706      4.60311327642784
  H   -10.05091093254611      8.88423834536589      7.06884033297398
  H   -6.06521172118706      7.23540879251058      6.88747983793818
  H   -6.16071552553298      2.34235857063958      4.70439927369073
  H   -8.09705893695739      3.72482911218686      8.54572875277747
  H   -9.64805242963828      5.28079119330079      9.73842138815263
  H   -11.53812386258704      6.33366085119509      8.51335334071757
  H   -10.35778707335676      4.24213039585434      4.91984502517266
  N   -3.68036700538764      2.59331829686523      2.79661397844025
  H   -2.80994512231319      2.39731181200227      2.28942360526753
  H   -4.06920710185952      3.44588014069676      2.38122879800368
  H   -4.31799762522572      1.79825120531995      2.59034354231819
