76
Coordinates from ORCA-job orca
  N   -1.70393398667055      1.82897374130220      4.74167612228373
  Mo  -3.71769367662741      2.52813296205604      4.77477497579940
  N   -5.29291850209245      2.05587991388045      5.93172635662631
  C   -5.14752178805028      1.73659900269062      7.36064946748581
  C   -3.68742416542920      1.50431179489734      7.70758459578461
  N   -2.82494741913992      2.50631017291215      7.03281808900451
  C   -1.38053904323399      2.12504508495377      7.08336250376182
  C   -0.71541435391376      2.27685913629568      5.70219472390052
  C   -3.06134038219386      3.89225893027372      7.51677977756474
  C   -2.77515008537906      4.88980133985754      6.40809349439655
  N   -3.47348667934388      4.46008476429224      5.18388142718296
  H   -0.44748031038824      3.31785136123193      5.48369822445520
  H   0.20268290970850      1.66956003103710      5.65295850829211
  H   -0.85027734940181      2.70981999651078      7.85058059821466
  H   -1.32550185039335      1.06678098600715      7.37316266453841
  H   -3.12699190839571      5.89051730954660      6.69410277236787
  H   -1.69787019507852      4.96777877317530      6.19520435575716
  H   -4.11885442426428      3.98173015973081      7.79568480096294
  H   -2.45490549173796      4.10324151171544      8.41315481122967
  H   -5.73750032257905      0.84003705361699      7.60678714236977
  H   -5.59041490256401      2.55805803630299      7.94598233766263
  H   -3.37132447866009      0.51726268316045      7.34067779528641
  H   -3.55206084964527      1.51618837373800      8.80347175710395
  C   -1.90664190308795      0.56333352389915      4.43391289778829
  N   -3.19000071546572      0.36553730891466      4.11242597268279
  C   -3.74633049038572     -0.79365218510427      3.63483274542683
  O   -4.77090890524282     -0.72844666285244      2.92117210123564
  C   -3.16918291376074     -2.11097370238959      4.00295998406603
  C   -3.27390055534378     -3.17882228414265      3.09832462944581
  C   -2.75700321953928     -4.42600172992616      3.43883533814057
  C   -2.15559682390740     -4.63302049293031      4.68396366912548
  C   -2.07907429948824     -3.56991325934547      5.58482202913592
  Br  -1.29243681099457     -3.83666754191784      7.29790265491773
  C   -2.57339255465626     -2.31030781356041      5.25893630750594
  C   -4.25308223020007      5.40112281970625      4.53651729421513
  N   -4.55905384715813      6.53627147681098      5.05778468267936
  C   -5.43759518888977      7.35195420968356      4.31306399980768
  O   -5.27017875455965      7.60218122862739      3.12412794414650
  C   -6.58860854920627      7.87511559646295      5.10427257941859
  C   -7.68961344107401      8.41508091786860      4.42235205432509
  C   -8.80138130836340      8.85419501575044      5.13585682262953
  C   -8.82313177335660      8.78455696997770      6.53243110452325
  C   -7.71373948676080      8.26358071366130      7.19808995691827
  Br  -7.70713001018865      8.20419695688528      9.10682182489415
  C   -6.60169036012692      7.79533660085347      6.50568431415021
  C   -6.54272723259984      2.46106448198132      5.53472554348933
  N   -7.51492740311900      2.68182897312844      6.35626839898856
  C   -8.70593823242151      3.12379196695129      5.73199279693436
  O   -9.07608957661577      2.72807594009218      4.62817115440861
  C   -9.46380005006351      4.13372352219060      6.52178834623338
  C   -9.23202385596873      4.33367535083765      7.89086388983198
  C   -9.95691731719191      5.30170191663199      8.58336712826309
  C   -10.89180050936674      6.09704199609535      7.91822002415006
  C   -11.10201683340156      5.89580531249080      6.55186215139109
  Br  -12.34976335982999      7.00760633566575      5.63230114576909
  C   -10.41427119037009      4.91623777377302      5.84689689229274
  H   -1.12151761091008     -0.20652485906082      4.44160846290432
  H   -3.75485334249300     -3.01564319437418      2.13411450133767
  H   -2.82257852229258     -5.25511880105523      2.73335761043765
  H   -1.75913179242797     -5.61169893422261      4.95350009178378
  H   -2.53468952381107     -1.50575330892625      5.99248186356834
  H   -4.65838960216537      5.05819206014805      3.57473451236049
  H   -7.65973003628781      8.47056563138826      3.33401741782595
  H   -9.66866841560306      9.25525858928586      4.61008823752543
  H   -9.69103514014689      9.13262902661769      7.09178793746242
  H   -5.74297129731211      7.38799440498990      7.03567332237156
  H   -6.65108699132303      2.65216657331346      4.45956497800162
  H   -8.49441720904479      3.71736071231685      8.40253703369267
  H   -9.78868127659905      5.45490255244489      9.64965865653287
  H   -11.44567844957356      6.86861625156587      8.45255445802973
  H   -10.58535234172503      4.75266926097565      4.78350692920701
  N   -4.51046610510435      2.72104919414862      3.14623582924288
  N   -5.11606712607048      1.81158957999920      2.19475629861929
  H   -6.12181376295378      2.02869666776117      2.11143159937812
  H   -5.00251479536315      0.75774878472474      2.47776680115916
  H   -4.69780370060930      1.96955345200031      1.26616977759214
