77
Coordinates from ORCA-job orca
  N   -1.72043212934061      1.23214675603893      4.74497909079661
  Mo  -3.42715407657135      2.47769087996128      4.49500148470628
  N   -4.96114239759700      1.86824117948106      5.72264032258528
  C   -4.71357969734048      1.80693725335918      7.16789677053121
  C   -3.21653683075874      1.78303466167717      7.42537602708225
  N   -2.55294320382338      2.82477186949663      6.59112580396170
  C   -1.07576629112279      2.66810440795052      6.55248073379254
  C   -0.67323855829092      1.43972401617174      5.72580431688139
  C   -2.89389383841548      4.19613146221885      7.08648980016927
  C   -3.02354631622120      5.14108704212937      5.90812082278272
  N   -3.88923298589451      4.49221585153290      4.92586793454233
  H   0.30432149251427      1.62837632668851      5.25167626541960
  H   -0.56311181325518      0.54576375395460      6.36023684892751
  H   -0.68004539562124      3.58070579336861      6.08647684407408
  H   -0.66370530868271      2.61475292595425      7.57505537782181
  H   -3.45399253660892      6.10151822199575      6.22571183687857
  H   -2.03859020007217      5.34414005816812      5.45331209101612
  H   -3.86179624193567      4.14585565067896      7.59817471927254
  H   -2.13884537121007      4.52964368753220      7.81692372240856
  H   -5.17740815709658      0.90353487626268      7.59700884465490
  H   -5.20543755930032      2.65792068949462      7.66853827768790
  H   -2.79610872129674      0.80998898700104      7.13696139800473
  H   -2.99578266993527      1.94484928027123      8.49525371944496
  C   -2.21434782231635      0.05223685121100      4.40848745136817
  N   -3.41581948599205      0.21590184333389      3.86551289774422
  C   -4.29744289147043     -0.78631118309635      3.50932957607827
  O   -5.23633720117809     -0.57901019088178      2.74557193332620
  C   -4.11004029102330     -2.14357162928868      4.13419577838146
  C   -4.32812704650729     -3.28884342690532      3.35705684183640
  C   -4.21199037690126     -4.55350883841650      3.93015990399036
  C   -3.90637887790671     -4.69670811752397      5.28748141479525
  C   -3.71727121131469     -3.54809276912855      6.05382543009574
  Br  -3.32721527083000     -3.71326028144110      7.91846983652742
  C   -3.80650150823765     -2.27518086089012      5.49681656272573
  C   -5.07372325667174      5.04952582064827      4.64184538116858
  N   -5.55437321967460      6.12642400530178      5.22727601222965
  C   -6.74429880960828      6.60036066828597      4.68697775887479
  O   -7.14776801471570      6.36951773955348      3.53989149515643
  C   -7.54731150206555      7.47207183176342      5.61040348974248
  C   -8.76001489329418      8.00631358443290      5.15428127978776
  C   -9.53430092499114      8.80644571915994      5.99076409603418
  C   -9.11739183518569      9.07958899603087      7.29694170599883
  C   -7.91494343688253      8.53049011760821      7.73994569214821
  Br  -7.35480490610406      8.85331727664611      9.54509024607695
  C   -7.12113711613879      7.73704120797775      6.92000494937538
  C   -6.25348135119044      2.04462669875175      5.36457534802934
  N   -7.19398365579399      2.32813203564422      6.22683317492660
  C   -8.47004755796267      2.54570001321924      5.71521238562182
  O   -8.97961798760466      1.91268473638699      4.78785249545995
  C   -9.19946891204929      3.66400880438507      6.40261550438293
  C   -8.73806801567464      4.22223040726661      7.60329586015044
  C   -9.42055583601519      5.28665881693543      8.18962670424408
  C   -10.55670257185737      5.82042817568754      7.57908369557471
  C   -10.99664635641931      5.26221643569835      6.37820339239540
  Br  -12.52613770618066      6.02246800114980      5.51512610395776
  C   -10.34538064155509      4.18792668933552      5.78558323388108
  H   -1.69680424880465     -0.90664621289275      4.56846568059112
  H   -4.59356100355738     -3.17134116021922      2.30603247419843
  H   -4.36743381870819     -5.44575486644558      3.32166746338777
  H   -3.82573038388067     -5.68397687210130      5.74148791922767
  H   -3.67762889323515     -1.39270731156192      6.12321988387709
  H   -5.67579607568594      4.52950184288062      3.88338223503722
  H   -9.08102712461975      7.77305632836810      4.13900443847520
  H   -10.48165309870141      9.21476520378001      5.63526828309515
  H   -9.72168806007111      9.69800027502591      7.96043996450790
  H   -6.18362203589074      7.31181020663753      7.27321675774733
  H   -6.45504939824059      2.01519916327618      4.28427883527369
  H   -7.84075347316199      3.81169120454722      8.06377736139155
  H   -9.06130552269961      5.72432704163103      9.12257979193237
  H   -11.08323325753466      6.66566117310472      8.02014424806427
  H   -10.68882474896601      3.75239157554890      4.84763580110162
  N   -1.82311756346931      3.60772889276761      3.22305453281533
  H   -2.26252591721871      4.45365826428507      2.84927978837147
  H   -1.55238738858008      3.03176050154208      2.42153598491512
  H   -0.95625702070798      3.89784417215634      3.68274986890706
  N   -4.37097512943900      2.57250266025560      2.73606251553513
  N   -4.84461153763549      2.73415710718334      1.72026348601680
