96
Coordinates from ORCA-job orca
  N   -3.81048703013141      3.05256633627641      4.38933330277655
  Mo  -4.19253219846902      1.26944707608304      5.18905880978685
  N   -5.14838992459148      1.24562479799790      6.93748703877420
  C   -4.47955207563517      1.64682610115635      8.17084856601476
  C   -3.38439402108200      2.67620488012323      7.90633972124276
  N   -2.55883634209793      2.26908392784439      6.76458721493102
  C   -1.97427923493171      3.38192304147296      6.00955930876678
  C   -3.03208132154537      4.04483259465705      5.13143210469202
  C   -1.63293746748703      1.16363097474570      7.03705513384297
  C   -1.38789964482596      0.34859118484763      5.76954319807538
  N   -2.64378034887608      0.02288716574931      5.10164573279484
  H   -2.51928645059493      4.72329948977941      4.42437913384720
  H   -3.68940886527171      4.68813953491152      5.74876333906331
  H   -1.19000669859318      2.96646325048396      5.36098445450432
  H   -1.49717351981667      4.12781866339738      6.67597104611590
  H   -0.85920664767029     -0.58170532945895      6.05055627261207
  H   -0.70316538891181      0.89628419114400      5.09060155281184
  H   -2.10828798743129      0.51406050225351      7.78575095999089
  H   -0.67441103283514      1.52148031860099      7.46215591549852
  H   -5.21500633269048      2.09076468574087      8.86960683095071
  H   -4.05756276796833      0.76543515046724      8.69461628798653
  H   -3.85663914826561      3.63392702193750      7.64360070257391
  H   -2.77820806181622      2.84092683164925      8.81902296361370
  C   -4.37176567964625      3.57979778722715      3.14803487895262
  C   -5.49561439528074      4.60736890815895      3.36003885081094
  C   -6.78991692754114      3.99761358572977      3.85643884115378
  O   -7.31735871977809      3.20238557104239      2.75977021298414
  C   -8.56295189920370      2.74990968686415      2.86210148362910
  N   -9.28834842051839      2.98350328925454      3.94309250200804
  C   -10.56820146905472      2.52661629389069      3.93413725842011
  N   -11.19878916752253      1.88462201204263      2.97080856701078
  C   -10.45155094482048      1.62712831394212      1.84985176220656
  C   -11.01917625645460      0.93798058197063      0.75375363292940
  C   -10.22955136538787      0.67467467397888     -0.34490417063248
  C   -8.88006319535460      1.09618193139367     -0.34286798369238
  N   -8.31476952937501      1.75579071715278      0.65888740827473
  C   -9.08986505566694      2.02149430337175      1.73618069092538
  C   -2.52247377884398     -1.02674005430078      4.09328515839265
  C   -2.01396266057556     -0.49174888785732      2.74488445990764
  C   -2.17016913518120     -1.52901127070422      1.64508290788840
  O   -1.98179806474459     -0.95252412359663      0.32027554305633
  C   -3.01563240741053     -0.27725669353220     -0.19120768066288
  N   -4.13755997812979     -0.13708026171336      0.48937124461591
  C   -5.14756110543633      0.55868366778266     -0.09471017535429
  N   -5.15514192468758      1.10916105747914     -1.29477195697053
  C   -3.99853438487063      0.96769410618934     -2.01544307854512
  C   -3.89561682009954      1.52046283045812     -3.31436875387804
  C   -2.71532870833710      1.36900994189340     -4.01024131685653
  C   -1.64436045714324      0.66810240425331     -3.40860673546609
  N   -1.69729458893736      0.13256696926623     -2.19672276651365
  C   -2.85708347105821      0.27936424004257     -1.51039373702670
  C   -6.37112439133059      0.48585729002493      7.17984623678786
  C   -6.10761540986198     -0.90172626554481      7.81074093179518
  C   -7.04860224856075     -1.98578025934317      7.31405445761810
  O   -6.66133668949973     -2.37576282172456      5.96402610056772
  C   -7.41176644106613     -1.99997297832277      4.92717108724768
  N   -8.52905768662102     -1.31735021894797      5.09499523505398
  C   -9.21669511968750     -0.96552864035072      3.97806061618150
  N   -8.90281272728794     -1.21072374189436      2.72256704015670
  C   -7.74923339121677     -1.92402226811590      2.53363632223323
  C   -7.31529775806881     -2.23953483280934      1.22539942424141
  C   -6.16344799616271     -2.97936206169654      1.06973747072076
  C   -5.45729833397149     -3.40197198266435      2.21867651924093
  N   -5.81825450056724     -3.11329531129506      3.46153238592056
  C   -6.94529733032039     -2.37810774894631      3.61685987294587
  H   -3.56293593860582      4.05803822085051      2.56249923082864
  H   -4.75696482933414      2.74087956541808      2.55409885958131
  H   -5.17639735098078      5.37589518434634      4.08141566345428
  H   -5.69155009564754      5.12900065973108      2.40966867171235
  H   -7.53157372648506      4.76105806888962      4.12897065907245
  H   -6.63749187874661      3.33714680623482      4.72457156713417
  H   -11.13780062414968      2.72779645633881      4.84726777575535
  H   -12.06208630281824      0.62348046280437      0.81442736086490
  H   -10.62676155511384      0.14064596345924     -1.20949772044382
  H   -8.23484240490572      0.88428614621650     -1.20175333162132
  H   -1.85422323379314     -1.82644997581008      4.46730945131196
  H   -3.51638818687838     -1.47053820063645      3.94229391096870
  H   -0.96603431428625     -0.16079120974210      2.81033716652041
  H   -2.63200411380239      0.38170973545593      2.49191764489219
  H   -3.16963205761610     -1.98203901091823      1.68950551191295
  H   -1.40540767134750     -2.31454328212640      1.69941934453885
  H   -6.05071398184488      0.68150112664989      0.51154268153293
  H   -4.75440663034938      2.05346014103459     -3.72559760233885
  H   -2.59500705978913      1.78101247697842     -5.01338604020259
  H   -0.70283281393016      0.54410926342219     -3.95263867756514
  H   -6.88214682210239      0.36335883203679      6.21844540867957
  H   -7.04888762952863      1.06390047661013      7.83828517986546
  H   -5.07726332815650     -1.21087340378170      7.56959736270789
  H   -6.18168198855530     -0.86027724972078      8.90907839603581
  H   -8.09879017078945     -1.66737717660316      7.31525789805877
  H   -6.93891287205358     -2.90458384915249      7.90585154599061
  H   -10.14096963223616     -0.40710351464956      4.15572736656189
  H   -7.90374528754245     -1.88395566426208      0.37825751234367
  H   -5.78750989412545     -3.23876521764930      0.07906873871423
  H   -4.54990611715491     -4.00394580693208      2.10616439381407
  N   -5.29126044050608      0.58699684359676      4.12584272977100
