97
Coordinates from ORCA-job orca
  N   -3.57477544535638      2.89632243460317      4.04491617873737
  Mo  -4.14359714208912      1.28704058552111      5.01056908788956
  N   -5.18996072358418      1.58774953769014      6.65177665534539
  C   -4.55780391447330      1.98868591970283      7.90845829645140
  C   -3.33872824102938      2.84007434980064      7.60532287104252
  N   -2.57388164517814      2.21147529924865      6.50328027976451
  C   -1.81136060255367      3.20382432306245      5.70671408939249
  C   -2.75140011902066      3.89638865577124      4.73136563558234
  C   -1.73640970143821      1.08212596324266      6.96523385963038
  C   -1.47146533088249      0.15454180974961      5.79400152190585
  N   -2.71500643557726     -0.07433132296275      5.06147799449053
  H   -2.15436749266481      4.45594576947791      3.99135113034510
  H   -3.38451720497439      4.63767373967337      5.25216637913098
  H   -1.04728521246427      2.65858872927640      5.13712693073182
  H   -1.29967861623412      3.92616223936040      6.36566924263244
  H   -1.07655132919460     -0.80624089793448      6.16768211180472
  H   -0.69439689608907      0.57351909088509      5.12642461808425
  H   -2.30616827624366      0.54113247403483      7.73366192009557
  H   -0.79880710781138      1.44251911674654      7.42180639266796
  H   -5.27134973681139      2.57380515571993      8.51354292275440
  H   -4.29003889440103      1.09980722855515      8.51075687506141
  H   -3.67015349396839      3.82815329909598      7.25796183345453
  H   -2.70230762642651      2.98402885237513      8.49501206780386
  C   -3.98021841222882      3.27484510579149      2.68835263350741
  C   -4.98007982076403      4.43839740305637      2.64138648415502
  C   -6.28433669783792      4.13488914136878      3.34588661565505
  O   -6.94613644777273      3.08823009109186      2.58621994930620
  C   -8.02320984862273      2.52241508794958      3.13141102604013
  N   -8.45141911053587      2.89121658795926      4.32529244516241
  C   -9.55148793866157      2.25476483462617      4.81122190675821
  N   -10.26447586762766      1.31176141512037      4.23224224890161
  C   -9.84268950323533      0.93775006834522      2.98242490313034
  C   -10.55421525685618     -0.04364067922107      2.25341516543323
  C   -10.10167035266932     -0.39347903959576      0.99918926651433
  C   -8.93958909709792      0.22709585065903      0.48529403164638
  N   -8.24358969399155      1.14970285250459      1.13570274846459
  C   -8.69385153732935      1.50627666849722      2.36303886358181
  C   -2.59872279517502     -1.10553935905042      4.02147947245811
  C   -2.03958809658703     -0.53234236407518      2.71063313052240
  C   -2.25868691285178     -1.45729656704509      1.52224573252981
  O   -1.93490854513737     -0.76693881224288      0.28680417388869
  C   -2.83734302272227      0.09432440216121     -0.19668034366722
  N   -4.03278593507132      0.21814329299782      0.35386842653960
  C   -4.88824987396333      1.12792430787140     -0.19513008461871
  N   -4.66224819031042      1.92159780359728     -1.22108648608082
  C   -3.42925917847536      1.79709874862206     -1.80772612557002
  C   -3.08698836565862      2.59598997992559     -2.92437979870031
  C   -1.83931268441118      2.44387540027192     -3.48984675898093
  C   -0.93997125067701      1.50055211859839     -2.93859001195551
  N   -1.21878344871920      0.73432648027147     -1.89299323436173
  C   -2.44645099960486      0.87957509453658     -1.33790960940259
  C   -6.59457246623485      1.19436414557714      6.79294968788254
  C   -6.79175654028770     -0.20571034775508      7.41121052466481
  C   -7.95125026485351     -0.94754578586585      6.77517472464208
  O   -7.57266606624343     -1.15652515111896      5.38373518097336
  C   -8.33347220565038     -1.95702684679032      4.63761776825116
  N   -9.42592387692303     -2.51218297101145      5.12199923591217
  C   -10.11012003122221     -3.34952336202492      4.29578613406180
  N   -9.79455174006493     -3.71079643273475      3.06803074272947
  C   -8.66061301814673     -3.14063403867409      2.55690446501942
  C   -8.22144645036824     -3.46520135990470      1.25103583986554
  C   -7.09775539754525     -2.84208786129818      0.75213060098759
  C   -6.42319931065820     -1.88874882096959      1.54596738847577
  N   -6.79675957813793     -1.57608117896676      2.78192640811011
  C   -7.88761843743379     -2.20143804020431      3.29243465269801
  H   -3.07580134167367      3.55582625152186      2.11878807612293
  H   -4.41396205891556      2.39521690869619      2.19951034382825
  H   -4.54507163243027      5.33929140869607      3.10196605078745
  H   -5.17462055163528      4.68441489744403      1.58600176215934
  H   -6.94716491771588      5.01125594470303      3.38653314183711
  H   -6.12345682087620      3.78211070789858      4.37549066712434
  H   -9.87160858384220      2.57660365862542      5.80736001773568
  H   -11.43826401275808     -0.49734485775303      2.70363834032074
  H   -10.62040914496750     -1.14563314422918      0.40368546354251
  H   -8.56655006551387     -0.05233637880041     -0.50455484805346
  H   -1.95836240005319     -1.92400095443372      4.39426930265430
  H   -3.59890434737534     -1.52134230854506      3.83694894772651
  H   -0.96947909754041     -0.29490449359060      2.80436483854916
  H   -2.57127947078068      0.40815024245077      2.50342962692189
  H   -3.29953208355144     -1.80740676597380      1.48421165960210
  H   -1.58317560705747     -2.32162339410554      1.53060902807428
  H   -5.87110546114146      1.20228900782092      0.28699588321345
  H   -3.82150443466579      3.30604704089751     -3.30731083103061
  H   -1.53544732935137      3.03699448305855     -4.35345360993839
  H   0.05264329400065      1.37422132273251     -3.38096060619175
  H   -7.04674057517202      1.21610115939358      5.79772712734460
  H   -7.11518224966848      1.95617253256776      7.39966390609460
  H   -5.87590871519289     -0.79791977054669      7.25706887079823
  H   -6.96485202223351     -0.14960175256178      8.49598244235798
  H   -8.89228384636722     -0.37675339873434      6.79887835367607
  H   -8.12813792886977     -1.92350464988155      7.24650768848604
  H   -11.02432601401651     -3.77575648935904      4.71906001853689
  H   -8.79226807533548     -4.19332910730655      0.67289653334673
  H   -6.72844485596433     -3.06013150076280     -0.25051391512909
  H   -5.55434459942088     -1.34923186822533      1.15529876559015
  N   -5.25958129480356      0.45796966514701      3.99226391232420
  H   -5.90671529827421     -0.25245961239233      3.51723502165488
