85
Coordinates from ORCA-job orca
  N   -3.96363015385747     -3.24973514336313      2.35346726135536
  C   -3.98524100329542     -4.02552867594591      1.10653342043310
  C   -3.16818329438258     -5.29735519115462      1.27827366019712
  N   -3.67905789621703     -6.00372969114922      2.46436939075435
  C   -4.87310619062204     -6.81795028498255      2.16478113136948
  C   -5.81596587147419     -6.70799643242316      3.35174437698219
  N   -6.03366310268961     -5.29645422004779      3.65135647780935
  Mo  -4.32659225779941     -4.25667560980567      4.04076665594947
  N   -2.55397966604199     -4.89732028972843      4.79934010305554
  C   -1.77095603435811     -5.81911621811193      3.96845718887432
  C   -2.66156924585086     -6.76710332735375      3.19620709069552
  H   -1.08901011092236     -6.43559141166206      4.57691224852579
  H   -1.11993828136368     -5.26263838506786      3.26510031298432
  H   -3.19115348371510     -7.41906445411793      3.90565725929614
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  H   -5.38680456753073     -7.23676359071684      4.22216879932689
  H   -5.36388528980376     -6.39731977911343      1.27697577888447
  H   -4.58587427338259     -7.86228647597379      1.93806282177864
  H   -3.57942901121745     -3.45863815694596      0.25569063053401
  H   -5.02614522514499     -4.28798993765929      0.84077686548866
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  C   -1.27062907223396      0.17884969027508      0.59498585509625
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  C   -0.45412600224329     -0.18374290783414      2.91262584251231
  C   -1.99349739654975     -1.89586024862531      1.78040293945261
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  C   -4.35035619094428     -1.12047930720945      1.12149356001460
  C   -3.66681048230924     -1.06674622976003      3.49019278070207
  C   -7.69978955262130     -7.39175035391513      6.17023909736266
  C   -7.83846247562739     -6.09752934636152      5.84127678510638
  C   -7.50457004824338     -5.01096775318643      6.82238484308568
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  C   -7.44375189390056     -4.86061852128838      3.55151582027660
  C   -7.94819490873951     -5.04352593749279      2.10121277558592
  C   -7.59416039191453     -3.37072828148234      3.87739346444871
  C   -3.00257540568675     -5.94362397494239      9.03692500590429
  C   -2.81880448551009     -6.19153054793727      7.73062566266422
  C   -3.80952567435209     -7.00024293222380      6.94301244142370
  C   -1.59300254329303     -5.69094061355257      7.00974067114418
  C   -1.78843638148743     -4.48898713702516      6.01751726869254
  C   -0.38429683491981     -3.99498207382815      5.59798623988334
  C   -2.43922293211599     -3.34983153146381      6.79565897170375
  H   -0.73500814525097      1.12942538717302      0.54871537404972
  H   -1.81639433239214     -0.12722681501535     -0.29990988924728
  H   -1.07835145375133     -0.14205078396824      3.81802789857557
  H   0.03169740732242      0.79189349295059      2.77758677476137
  H   0.32706740438740     -0.93617922734284      3.11267235098721
  H   -1.50314450069778     -2.54686316271324      2.52182078808703
  H   -1.92233107882138     -2.40269013041155      0.80631947776087
  H   -4.03596416242788     -0.07157634788681      1.03918559182092
  H   -5.41023821676168     -1.14444582676705      1.41377595403291
  H   -4.25835169824603     -1.57172007885316      0.12457578070836
  H   -4.71922165881277     -1.05921513363609      3.80099417101127
  H   -3.07483698402321     -1.50928861993195      4.30192856366927
  H   -3.34159419541498     -0.02813370795820      3.33888684446497
  H   -7.93374019177235     -8.18951171287090      5.46163205908236
  H   -7.34315610693385     -7.69154631145575      7.15818329212229
  H   -8.33787534309363     -4.29620509156158      6.92219082783476
  H   -6.62223639607873     -4.43806753938935      6.48891811664702
  H   -7.28509517525285     -5.43098355143453      7.81372539327191
  H   -8.65119472757484     -6.63938104173762      3.95392998304285
  H   -9.31240693567782     -5.14434946735808      4.61091554844479
  H   -7.82984243113641     -6.07953455792078      1.75425415206139
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  H   -8.63797052431130     -3.06959651028773      3.70574455636990
  H   -7.32552589201389     -3.14395235814924      4.91247800604954
  H   -6.94801744424189     -2.76915242167081      3.22169837819831
  H   -3.88288638560916     -6.31262113260949      9.56782246586983
  H   -2.28023351260373     -5.36134386146275      9.61326454817720
  H   -4.24664175635302     -6.39897136402893      6.13129830086570
  H   -3.31562517551826     -7.85972527198635      6.45904365932556
  H   -4.62351933221782     -7.37538075526130      7.57729553616397
  H   -0.85250425192504     -5.36151839517886      7.75448418188371
  H   -1.13149401369604     -6.53145336013516      6.46453225513552
  H   0.24192654128878     -4.79644681811463      5.18353581241118
  H   0.14125549781448     -3.57906564890517      6.46906763119269
  H   -0.48098725524811     -3.20239790905076      4.84072584669410
  H   -3.45188327831403     -3.60311595600491      7.12416938234470
  H   -1.82607066744309     -3.13851561609004      7.68426679116149
  H   -2.49159715042103     -2.43782947173212      6.18685643189818
  N   -4.93062570313890     -3.21470431295480      5.34860684718272
  H   -5.16144239730980     -2.28021636340491      5.70259979780514
