95
Coordinates from ORCA-job orca
  N   -3.06847654284520      0.22091804625061      4.57910356927591
  Mo  -3.82379158182860      2.06478161959143      5.26559790923808
  N   -4.92898751675273      1.19612369532899      6.70057541979758
  C   -4.26691571793725      0.47420367105699      7.78446890988417
  C   -2.82242615655541      0.17233150719090      7.40751210983870
  N   -2.23378220797404      1.33664147519370      6.67287105964189
  C   -1.10601595821513      0.91548150904754      5.80820102933628
  C   -1.65102048897097     -0.00223225761727      4.69690915473066
  C   -1.85450034625446      2.41961425957237      7.62612181598515
  C   -1.97892262519962      3.76582798501662      6.93547604031091
  N   -3.17510530504193      3.72378408889909      6.12541431360109
  H   -1.08547549055755      0.19806485468871      3.76186348212039
  H   -1.46046619996937     -1.06658710766135      4.94652852871169
  H   -0.66327568791190      1.82698846034020      5.38668466979419
  H   -0.33316408024805      0.40326616812340      6.40890066283905
  H   -2.05211065431837      4.55811481717990      7.70199455315747
  H   -1.08127185756466      3.99928770079665      6.32754096689582
  H   -2.57790313412076      2.38407523734956      8.45060928646764
  H   -0.84563278292329      2.23036846100611      8.03020072683990
  H   -4.78312082678111     -0.47970314095481      8.01211778249969
  H   -4.30301963025576      1.07909995502145      8.70854107788543
  H   -2.78046901573574     -0.69113102303004      6.73789223757881
  H   -2.21190748355597     -0.04612604580297      8.30010277511503
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  C   -0.65355553712481     -0.86707132600767     -1.93777684234410
  O   -1.06005383026555     -0.35956949471487     -2.98173196690741
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  C   -3.67100387820855     -0.06689095846229      0.19969494252821
  O   -4.84429021087956      0.54858295398376     -0.01942691152720
  C   -3.32285257205910     -0.58633563266769      1.48393881580471
  C   -4.27633507837488     -0.46708137771849      2.58864124258534
  O   -5.41012614104446      0.03204379384965      2.40869596621668
  C   -3.88394527789038     -0.83008069131381      4.01783933664410
  C   -2.08371615441443     -1.24198426201573      1.61859436248354
  C   -1.19190055501809     -1.37108487723296      0.55966130541005
  O   0.00582542725624     -2.02294147932957      0.73469948780533
  C   -9.92880369062227      9.34305008673511      5.17252503443412
  C   -9.85948191941853      7.95183243662757      4.60313594793777
  O   -10.87294159148610      7.48077785756961      4.01694876316519
  C   -8.65391327968546      7.15382935749717      4.75334634291894
  C   -7.50394465392294      7.64294802520825      5.41312425685695
  C   -6.37601003419114      6.86410733651588      5.59328449436600
  O   -5.26364953286567      7.34791376714785      6.23353551939605
  C   -6.34874633401975      5.51515052761647      5.11829693637658
  C   -5.25392720450654      4.61454344706628      5.35681997620686
  O   -5.34027152341598      3.39861172334076      4.93174153341186
  C   -3.94829599142823      4.94430992124993      6.02571548453436
  C   -7.49124163375110      5.03144889259051      4.44032446234861
  C   -8.62060645594985      5.81559913023901      4.24599127626361
  O   -9.68490249222572      5.29220721672425      3.60676535457550
  C   -12.23025702407365      6.14307518057035      6.94327715885725
  C   -10.88769453664761      6.46876230014902      7.56072530381454
  O   -10.69884623880620      7.59776342474213      8.01797724206596
  C   -9.80029182510896      5.44269272418851      7.62596785970116
  C   -8.64172261764217      5.83158229468234      8.31826165509617
  C   -7.53903166352456      4.99734917271467      8.45998039007409
  O   -6.46021084031748      5.44238948052686      9.13966228345324
  C   -7.55923681270328      3.70681617624737      7.84838711692365
  C   -6.35241177542737      2.87945219711067      7.88250373033159
  O   -5.36014036648415      3.22710834069801      8.56572000567235
  C   -6.27759794803955      1.60950998538566      7.03122712984209
  C   -8.72112567187180      3.31238769656179      7.16373574072638
  C   -9.83229797430149      4.14177686355484      7.04794760602299
  O   -10.88186469734804      3.60255483594094      6.35642581133134
  H   1.34064519366347     -1.05246788145781     -1.13068389431369
  H   1.16849787929960     -1.42196981675889     -2.88616305404744
  H   0.62067974105670     -2.57847589046821     -1.61845469020043
  H   -3.01515248285329      0.22221058404603     -1.82886764644909
  H   -5.32314170924752      0.51534866631564      0.87322495865546
  H   -4.82754775340117     -0.92619631839541      4.58179122697842
  H   -3.35233237897517     -1.79840003263897      4.06674720299000
  H   -1.81188809630420     -1.68337475448727      2.57893827079918
  H   0.04671337581265     -2.33418861069939      1.65698337588929
  H   -9.87812763353529      9.29857235795266      6.27188865564831
  H   -9.09424531458748      9.96692234204310      4.82129338118510
  H   -10.87862191436845      9.80213613046913      4.87790945403382
  H   -7.50587783160937      8.65939623543069      5.81246297866890
  H   -5.47116622217553      8.23364191334592      6.58248847970792
  H   -3.44996152162145      5.75383297489327      5.44991936864788
  H   -4.11283339091217      5.36773343803423      7.03447495659977
  H   -7.49565836938065      4.00478521796470      4.07701370227864
  H   -10.36954195411873      6.04824141137172      3.60691957100919
  H   -12.13175983219526      6.03528745191436      5.84747372789316
  H   -12.66831030643317      5.22550708313931      7.36556715970178
  H   -12.91117290779295      6.98246109684474      7.12320269718397
  H   -8.61749527570885      6.83073339006487      8.75330698170112
  H   -5.80717705219626      4.66994196662838      9.10415002531704
  H   -6.84212025289903      1.78194858851036      6.10579840941959
  H   -6.81683540469181      0.80928109394190      7.57870462080092
  H   -8.77838885898978      2.33978430699172      6.67660783745772
  H   -11.50474570833268      4.30011698338854      6.08732999892015
  N   -3.48004413987609      2.48031578551804      3.41380129743937
  N   -3.68067959252829      2.66367642739139      2.22564725960017
  H   -2.92849212445083      3.25471472800814      1.79489014673995
