85
Coordinates from ORCA-job orca
  N   -3.82510611693675     -3.21622708368009      2.29590794920274
  C   -3.86256861473435     -3.95508869408131      1.01934207101141
  C   -3.08313112648046     -5.24667069319225      1.16106318636311
  N   -3.62349926076470     -5.97707751368018      2.32688508231769
  C   -4.80585189576268     -6.79712536125424      1.98346569521570
  C   -5.73515956132110     -6.75605814909107      3.17786107262766
  N   -5.97187366981810     -5.34126831187481      3.51230174369128
  Mo  -4.33962365591447     -4.27349260072270      3.87602895109731
  N   -2.75364915040501     -5.06647976040512      4.79992638932009
  C   -1.82678474615156     -5.82940090292474      3.93945150707170
  C   -2.59459273865083     -6.76117562994016      3.03395155876735
  H   -1.13238498545641     -6.42586603170902      4.54689592457975
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  H   -3.10114641308756     -7.52677552692679      3.63590934702444
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  C   -3.25179932044159     -6.59866106643619      8.75587277928147
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  C   -3.36422065173056     -7.82015893831052      6.59892596095744
  C   -1.68799113172817     -5.90574513936201      6.95494511410459
  C   -2.08362543771963     -4.65709874671600      6.09016851882055
  C   -0.79036237727439     -3.88420846918636      5.75855072963427
  C   -2.95092962354380     -3.75605474468529      6.96094402598554
  H   -0.69039741145901      1.21948325353425      0.51910105910428
  H   -1.79492254735084     -0.02471357789645     -0.31448086720414
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  H   -5.31882075962674     -1.10701021036160      1.43893629313554
  H   -4.18637014454665     -1.49334800147807      0.11776621025230
  H   -4.55803203359394     -0.96050254245655      3.79343418631218
  H   -2.91384283736713     -1.46531419103186      4.27681224113675
  H   -3.15464325557720      0.00721861201036      3.30580322295449
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  H   -9.51558047367944     -4.82857792834102      7.14347336245285
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  H   -9.16097408476016     -5.59556941868618      4.74825596551608
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  H   -7.09590039795342     -2.92229698738006      2.99605221857991
  H   -4.05258314551267     -7.22246944348508      9.15791662642278
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  H   -2.57142379197143     -8.51896051690280      6.28372896969539
  H   -4.15754261952874     -8.39621349978291      7.09241037009725
  H   -1.10995326184279     -5.49348115380078      7.79445633186069
  H   -0.98649696456016     -6.54202506271256      6.39307933201181
  H   -0.03341595609417     -4.51593922339607      5.27537890923736
  H   -0.35101159231484     -3.48813853147714      6.68393107982090
  H   -1.01508816652923     -3.03647130127414      5.09426687371556
  H   -3.94252296502119     -4.18690810096562      7.14410412745126
  H   -2.45425087521586     -3.63189206969836      7.93254259116736
  H   -3.05748442338205     -2.76106125448846      6.51303485384194
  N   -4.86905183795203     -3.08164489230771      5.00062328361416
  H   -5.20568831069166     -2.39249317384715      5.67625784934624
