75
Coordinates from ORCA-job orca
  N   -2.93855077487814      1.69837556140712      4.62592489558871
  Mo  -4.75854304640087      2.10449570307639      5.56433282592770
  N   -4.90422043921914      0.42614001511269      6.63875732306355
  C   -4.47933696480590      0.50478482296019      8.03593142166290
  C   -3.14804449105967      1.23477302129314      8.02841215443940
  N   -3.29614830789637      2.47547538222444      7.20621514012792
  C   -2.01981470463048      2.88537071722639      6.55554849834423
  C   -1.70077204589841      1.98667874184192      5.37328952696678
  C   -3.87316962774840      3.59636591928870      7.99703875802871
  C   -4.30490172489773      4.72334762341260      7.07331517895950
  N   -4.93338493721153      4.14846228338889      5.87622413027650
  H   -0.95991600252278      2.49523092721980      4.73505724786765
  H   -1.24346881914094      1.04091806806560      5.71057221899520
  H   -2.15056765940198      3.91521518962340      6.20302957905795
  H   -1.19687041235580      2.88118513023224      7.28965494189751
  H   -5.02594507156785      5.37511894902572      7.58980899461808
  H   -3.46245855580510      5.37356691561683      6.78540271810286
  H   -4.74786904304268      3.19221771846851      8.52194193835600
  H   -3.14545907759879      3.95153945417732      8.74729731624533
  H   -4.35262563641452     -0.50917733242767      8.45028498458501
  H   -5.23910473520292      1.03070705286036      8.63815525672324
  H   -2.39723713337221      0.60183630364144      7.53663111537615
  H   -2.78627470270836      1.48399678393771      9.03906139718004
  C   -2.84498784178224      0.65303386414442      3.78080394650778
  N   -3.84626813808963      0.18732510254636      3.08023982059323
  C   -3.77371106967998     -1.06504444949913      2.49279929339621
  O   -4.25506703760406     -1.29940241998338      1.38500414932551
  C   -3.16529281804755     -2.17504001981801      3.31797243236366
  C   -2.63696868700599     -3.29471413678008      2.66028438480218
  C   -2.06311552814891     -4.33213494263224      3.39214664715323
  C   -2.02532845113358     -4.28279917729842      4.78966370363299
  C   -2.57633967814409     -3.17452724466638      5.42983933712852
  Br  -2.55228416002957     -3.08959454187992      7.34456277017849
  C   -3.14504880256846     -2.12070009514524      4.72143471143538
  C   -5.69147193368365      4.98152245343520      5.14803434888852
  N   -5.83120618828694      6.25668414091035      5.41639564898743
  C   -6.51276798430726      6.99740782302624      4.45683998952557
  O   -6.58821861690284      6.70335430406128      3.25699698733137
  C   -7.16356095205624      8.24205804145895      4.98352205753743
  C   -7.84812043256135      9.08554116384204      4.09826920025366
  C   -8.50980856134961     10.21399010009886      4.57634767122955
  C   -8.51146794876103     10.51136754369818      5.94279378432708
  C   -7.82437120671818      9.66268847387238      6.80978688999778
  Br  -7.83984639749715     10.03474786543378      8.68964733483157
  C   -7.14176104608960      8.54165822789721      6.35297393276580
  C   -6.18899080066730      0.72219302245853      6.19355288115817
  N   -6.71439283212164      1.88159952312191      6.75513404161662
  C   -7.85623980997848      2.39850971197551      6.18176190994676
  O   -8.48372384375710      1.86983128472621      5.23951994027645
  C   -8.29860054744143      3.70822368411005      6.75508970802501
  C   -7.83748530892702      4.17190766719263      7.99560953891184
  C   -8.26013257404829      5.40744953976909      8.48290224945969
  C   -9.13828089774568      6.20073386780679      7.74040058855539
  C   -9.59143780193014      5.72649167168294      6.50863750865454
  Br  -10.78078155625984      6.81040733574128      5.48119811628382
  C   -9.19209687859215      4.49198406074056      6.00993589345526
  H   -1.84558241884534      0.18672997289355      3.70819067212799
  H   -2.68086296683025     -3.33050796335871      1.57145732302500
  H   -1.63688973653416     -5.19487581011006      2.87762065412430
  H   -1.58071061919434     -5.09336321297931      5.36659611134722
  H   -3.59989068589612     -1.28559776990168      5.25824972186907
  H   -6.21628413012787      4.54164730195034      4.28971124040501
  H   -7.85771422056828      8.83005491790568      3.03859168938119
  H   -9.04330160360381     10.87065069931052      3.88724104169775
  H   -9.03959408755201     11.38481510465673      6.32464196120811
  H   -6.60687488233694      7.88356155586779      7.03437126517023
  H   -6.74477367025592      0.03627616017856      5.54920126824999
  H   -7.15932812801217      3.54481368627232      8.57304091577845
  H   -7.90673458914531      5.76837924998213      9.45044859065194
  H   -9.45849846649621      7.17413027654314      8.11130611891573
  H   -9.54963528998977      4.12216143402812      5.04936728989894
  N   -5.94786133495681      2.03862358423556      3.67927192174645
  H   -5.54009732311849      1.24254174462639      3.15629561781654
  H   -5.86974235413821      2.86295181443222      3.07641668954591
  H   -6.94736324669871      1.87023585574402      3.87454092611104
