76
Coordinates from ORCA-job /scratch/magstr/orcajob__5668080-ClHz/orca
  N   -2.84046045131155     -3.23254066432225      2.37216535478295
  C   -1.94487301293207     -3.99101984793899      1.49548624160900
  C   -1.54517454144461     -5.28768511936607      2.15702603248249
  N   -2.71941235061729     -5.82959168085330      2.90296133641990
  C   -3.85590829790392     -6.13272980908484      1.97471990867763
  C   -5.16039512494836     -5.93768178861805      2.71244398647424
  N   -5.15460740292143     -4.64170129001243      3.40502953761048
  Mo  -3.31142133763975     -4.18294140297166      4.34919799921444
  N   -2.43368814635226     -5.73081140476770      5.55732946484153
  C   -1.61151145982355     -6.72259868780437      4.85767140183026
  C   -2.35725378850637     -7.08415995123428      3.61938378178965
  H   -1.48214100950482     -7.62098498583398      5.47958057076611
  H   -0.60797078991238     -6.32331906101481      4.63250763792823
  H   -3.28898670209175     -7.59842257608279      3.88815547001504
  H   -1.77850175607639     -7.72967835293045      2.94126604631163
  H   -5.99393274137002     -6.00441280007547      1.99898252635463
  H   -5.32340389177455     -6.73771102640032      3.45857556653437
  H   -3.82966826440598     -5.44050558201598      1.13364653498331
  H   -3.72790839165786     -7.16061202659962      1.60154755567505
  H   -1.04082470325238     -3.40722600894917      1.25960802961577
  H   -2.45155740049520     -4.19580532107011      0.53888097167224
  H   -0.73421445930041     -5.13713144447010      2.87776424308001
  H   -1.21474193866692     -6.02137299975790      1.40497500562433
  C   -3.23686514149067     -2.04069359341954      1.92859892991311
  C   -2.89739843518454     -1.59539476400487      0.60235455659676
  C   -3.27097898139678     -0.37278626440430      0.10035355075078
  C   -2.94938694687421     -0.11367239422453     -1.34529897788198
  O   -1.97114301052084     -0.59717615556003     -1.88723551574623
  C   -4.02040131231447      0.55272283111446      0.90095503793248
  C   -4.32224641015659      1.92073846601183      0.46171207873203
  O   -3.86091763410316      2.44416974780572     -0.54346004021947
  C   -4.38303003580744      0.15834431355611      2.16937218758925
  C   -4.02598458521602     -1.10427061676808      2.71331856594300
  C   -4.46966599339942     -1.34049170899607      4.01966919887456
  O   -4.33980398065251     -2.39962484872491      4.71091297532855
  C   -6.28697767078267     -3.84541457143864      3.23306648066747
  C   -6.93840379186921     -3.37597839015127      4.39187428611528
  C   -8.10639805210739     -2.61374803719339      4.36208260347325
  C   -8.59164432293582     -2.14261893170074      5.68664965695848
  O   -9.38745629753518     -1.24087578744742      5.87753730362846
  C   -8.71990268116238     -2.31062814828552      3.12191724027889
  C   -10.01152317481671     -1.58063192282197      2.96922006387001
  O   -10.42344237027642     -1.21296263291355      1.87889982800201
  C   -8.08963896074916     -2.77034224190634      1.96712530222986
  C   -6.88845863865238     -3.49651591968282      1.97618719840421
  C   -6.31520276193294     -3.68248454988597      0.62748368970978
  O   -5.19964844913486     -4.09255788004667      0.33794224355880
  C   -2.07789318378873     -5.50999526208877      6.85245980603897
  C   -0.87350773206819     -6.03950704622544      7.40340396886729
  C   -0.50067689967812     -5.83296841242043      8.71929586651007
  C   0.79009557811776     -6.47141957611046      9.15472180137713
  O   1.70792796362984     -6.65850584790575      8.37583054917334
  C   -1.35009576878759     -5.11648342104059      9.61478868424475
  C   -0.96272237161283     -4.78410250564506     10.99774632026482
  O   0.16168422008492     -4.92035709080402     11.45427257074240
  C   -2.56093316253715     -4.65386549917354      9.13006264833563
  C   -2.92040854845222     -4.80132493584111      7.77722441281936
  C   -4.20196690716202     -4.39116164479157      7.34863920709575
  O   -4.55111307024947     -4.30682986711588      6.14229436063150
  H   -2.35250048640542     -2.24929643413528     -0.07441266158407
  H   -3.67629400558967      0.51568655807512     -1.89828116876993
  H   -5.01940809386090      2.47991626414465      1.13274480051327
  H   -4.95575585007466      0.84484290149500      2.79965412894794
  H   -5.02865673290261     -0.53544508388266      4.52103663157610
  H   -6.50862852839589     -3.63956762967227      5.35701234809514
  H   -8.08191149782712     -2.64706271176788      6.54653387628050
  H   -10.60821572824284     -1.43581462005179      3.89169647341368
  H   -8.55447243836090     -2.52426216067468      1.00806024054789
  H   -7.00373909916896     -3.33016670169904     -0.17745751139111
  H   -0.17397137676722     -6.59997145443029      6.78613571116802
  H   0.84506052060800     -6.78964825717012     10.21521733064864
  H   -1.79135278113093     -4.36428161125307     11.61916231068711
  H   -3.24613026606785     -4.12596480133553      9.80005666090765
  H   -4.98405786450985     -4.17651312978917      8.09688882706437
  N   -1.90651649938549     -3.19180646066408      4.76610850134576
  H   -1.47901078743192     -2.27639872476277      4.57788265544505
