76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670606-yPve/orca
  N   -3.53822585048942     -3.58516951240902      2.08814718863758
  C   -2.60454774076823     -4.12423871366327      1.11538915843605
  C   -2.22482330590403     -5.51153487773226      1.60576328722324
  N   -3.33735168999774     -6.05717087453704      2.43631859975717
  C   -4.48325043420578     -6.48503869230744      1.56463828690530
  C   -5.76800565023051     -6.50916064317882      2.37593493016352
  N   -5.77502661672008     -5.32640205408826      3.22023804568201
  Mo  -4.12432862200120     -4.38532699244819      3.78926549732018
  N   -3.34727079525780     -5.72147780539620      4.97111537538918
  C   -2.31883961634004     -6.66848992700239      4.55796567250185
  C   -2.83284592026728     -7.21677398011159      3.23474415390552
  H   -2.22425742983260     -7.47325074758125      5.30127367484876
  H   -1.33670518987244     -6.18182991235611      4.44340459732011
  H   -3.66504454610070     -7.90497193313312      3.42627590395890
  H   -2.05355011878777     -7.74893066119708      2.66923831884614
  H   -6.63446044499472     -6.50346215341913      1.69581732057146
  H   -5.83461993292956     -7.41876556955402      3.00110129681288
  H   -4.57820708000432     -5.76201285086747      0.74543843486880
  H   -4.26466394155235     -7.47341530490480      1.13208166107938
  H   -1.70266930635966     -3.49846040125602      1.02251698773293
  H   -3.08975973066210     -4.14672369859185      0.12449287023979
  H   -1.33778267520452     -5.45035406770620      2.25013542346969
  H   -2.01014298880820     -6.19754802428630      0.77209248854443
  C   -3.95469954452675     -2.24447925658541      2.05486113361277
  C   -3.02348535869017     -1.18464321272719      1.89472929990618
  C   -3.43224708055631      0.13235739125541      2.00749430100499
  C   -4.76070751507292      0.40234514849828      2.35618255540255
  F   -5.12618424550967      1.68262206523543      2.52472049801884
  C   -5.71302152909715     -0.60510470250791      2.51046724683436
  C   -7.09988932313192     -0.38332041624014      3.01085024225396
  O   -7.98315499546081     -1.19948627142957      2.81527421332596
  C   -7.46287319575771      0.87336987064540      3.86243497994088
  O   -8.43571680420419      1.51709002245421      3.55983140062511
  C   -6.55152281350636      1.23825726889038      5.05954830097177
  O   -5.54704721149469      0.63840110044698      5.34814096710205
  Cl  -7.07823628942640      2.69109474155859      5.89061260241276
  C   -5.30781037927517     -1.92920269684448      2.26887538975334
  C   -6.91550248181718     -4.85200222362904      3.84137424892337
  C   -8.21725396774205     -5.38432497128387      3.89345824015845
  C   -9.15333688685452     -4.71611170036555      4.68527813725474
  C   -8.81406519093302     -3.58233903862235      5.43946708458256
  F   -9.75622489919831     -3.04716406664353      6.22026292718355
  C   -7.52043165337111     -3.01232325929382      5.42065345007863
  C   -7.16157826893913     -1.76669450888983      6.21472256648520
  O   -8.00021461094872     -0.85188898492597      6.21762809382249
  C   -5.86401414232482     -1.57048087189290      6.83615482423442
  O   -4.71921769878865     -2.55135181799111      6.69786373933583
  C   -5.58644821015050     -0.44864342711758      7.70470468005942
  O   -6.37229780776177      0.28885963047162      8.22494555864236
  Cl  -3.78802406662880     -0.25792117449164      8.04700968071806
  C   -6.68393294931158     -3.67833303754529      4.56164207243843
  C   -3.69919700542984     -5.56777684800634      6.33052588080302
  C   -2.68535931791792     -5.36025262477672      7.29905177398197
  C   -3.00168476200145     -5.11936559864994      8.62469010657823
  C   -4.34444021966061     -5.06190335010078      8.99533583320660
  F   -4.63744076274189     -4.79109052750780     10.27910144640870
  C   -5.37540069404659     -5.29463364385529      8.08130051386029
  C   -6.80633660970130     -5.20050424864226      8.43385379553200
  O   -7.70820624759737     -5.46713921395451      7.65029669017243
  C   -7.26693511853025     -4.67573748301584      9.81151720898823
  O   -7.68202986822745     -5.41075290115746     10.67250700045245
  C   -7.21919614092640     -3.13248375298917      9.95553349906087
  O   -6.34606775679725     -2.47389503552913      9.46419618797107
  Cl  -8.54089844511255     -2.47777205584845     10.91301028408175
  C   -5.03380055993173     -5.58126511245637      6.74594075981515
  H   -1.97725558264246     -1.40298349332417      1.67903515777225
  H   -2.73558632297463      0.95941541342544      1.86865169977702
  H   -6.07783978873699     -2.69948286673349      2.21461285374595
  H   -8.49671909933631     -6.29241800891395      3.35792791582196
  H   -10.17550533479634     -5.08802362449884      4.76269506464282
  H   -5.60592713549005     -3.12456595213884      4.46305622142880
  H   -1.63748159313670     -5.39530664965563      6.99638081742745
  H   -2.22755805468413     -4.95653975868255      9.37464819633274
  H   -5.83962490611358     -5.84992911041489      6.06289504122054
  N   -4.65536624336466     -2.59005958649736      5.15078051237189
  H   -5.09949568232998     -1.65146816877687      5.64358792924780
