94
Coordinates from ORCA-job orca
  N   -2.10468665897134      1.17409155333706      4.83071418744042
  Mo  -3.63554388077106      2.12860059998883      5.62355990543975
  N   -4.99518414079720      1.02075920303367      6.50252221643696
  C   -4.66870115715503      0.04953039615710      7.54900546705315
  C   -3.16154319954402     -0.10036772449932      7.65260559070899
  N   -2.52291102320525      1.21867607367602      7.42968776287516
  C   -1.10237273179795      1.09025875819129      7.04395211513587
  C   -1.04354349421585      0.55631698999274      5.62556035188330
  C   -2.74384328937302      2.18108645640365      8.53206373402270
  C   -2.52926711947728      3.59233459788322      8.00331607538354
  N   -3.06982656792221      3.71267499416404      6.64377901302662
  H   -0.06020660610352      0.78845203633947      5.18047878191370
  H   -1.15285740535923     -0.54270461193433      5.59913650314439
  H   -0.65306859890086      2.09123974323716      7.08240715143981
  H   -0.55577094576705      0.44031197381539      7.74755819194226
  H   -3.04102072901657      4.30005326894097      8.67569900473046
  H   -1.45885068450075      3.87046447309442      8.00373728030311
  H   -3.78769882467431      2.07337742259374      8.85513119940940
  H   -2.08368947418558      1.96437374462618      9.38931174046063
  H   -5.11786787295480     -0.92758705512850      7.29799366432451
  H   -5.11405033881928      0.38058267658146      8.49978155379669
  H   -2.80827153266983     -0.76872788132114      6.85748348419883
  H   -2.86178592696926     -0.52217756189886      8.62637925627236
  C   -2.40784534229797     -2.66669388142356     -3.19335010739009
  C   -3.32578548549495     -2.96123557226917     -2.03872266529555
  O   -4.23003928180519     -3.78113723068289     -2.14537954504375
  C   -3.12955873096788     -2.26806511366576     -0.70503224880093
  C   -3.75415770971601     -2.86725205351195      0.38709605602645
  C   -3.65672334575760     -2.34533214467526      1.68080607875851
  O   -4.27569982008541     -2.98825233854009      2.68529053318708
  C   -2.91113339133063     -1.14835213716390      1.88923399300602
  C   -2.82868989983313     -0.58688169992354      3.23157912731000
  O   -3.37195715015825     -1.13997607821786      4.20895146595508
  C   -2.08301388039354      0.73873247120148      3.44813218966498
  C   -2.28919623492978     -0.53733398029811      0.77854888828845
  C   -2.38028512332508     -1.07674308366531     -0.49794431817074
  O   -1.78464130556593     -0.47324654380800     -1.57096045218376
  C   -7.21250480006285     11.45111269623859      5.13381650405288
  C   -7.89673049308486     10.11543178041160      5.21176891790179
  O   -9.13213791363099     10.04211331083957      5.06299165643369
  C   -7.11367530180546      8.89138606018938      5.46463977038849
  C   -5.71779050578578      8.92407277498812      5.62210176963817
  C   -4.97724105405148      7.76898740043081      5.85296185100494
  O   -3.61458228394339      7.81026810234155      5.98393584476958
  C   -5.64508096745222      6.51995458161432      5.95144556743395
  C   -4.99102161345731      5.20559483168361      6.20845060395120
  O   -5.67800292907150      4.19432267323849      6.31882965664971
  C   -3.46607022905181      5.06171859850665      6.27661564955187
  C   -7.03733803628825      6.48515631639203      5.79528190582858
  C   -7.78568651944205      7.63677907409206      5.54603903276147
  O   -9.11472450964690      7.52875578148885      5.38773243298938
  C   -12.09125663316067      5.80930415820343      4.90278615190965
  C   -11.58799995296035      5.52137107656679      6.30107397062816
  O   -12.05193826492021      6.13457602150619      7.25396699083313
  C   -10.48973512391787      4.51354917460714      6.52247570406469
  C   -9.84390182735291      4.59537336713845      7.75979397893272
  C   -8.75607465293556      3.78659450073139      8.08828590501285
  O   -8.16460358278921      3.95438080470508      9.28552756123090
  C   -8.28075916081862      2.84416026722050      7.12767499214846
  C   -7.04859724602524      2.10821497705300      7.41039142016120
  O   -6.48002747223958      2.20449252585023      8.51515203466058
  C   -6.42190405190899      1.23142246343565      6.31576699064111
  C   -8.95758555831116      2.73372772245721      5.90067930946877
  C   -10.04736230488032      3.53918309770584      5.58520344237178
  O   -10.60900096502955      3.30869367505441      4.36020208235459
  H   -2.63101749569022     -1.66852185694078     -3.59888791842212
  H   -2.56643521331715     -3.42250511332286     -3.97032696788802
  H   -1.35581281317015     -2.64299096110701     -2.87760000291255
  H   -4.33607111825790     -3.77393570704566      0.21746570926929
  H   -4.07584896546117     -2.44811595012880      3.50994989808666
  H   -1.04017242895034      0.61699785689968      3.10172844932002
  H   -2.55077051758447      1.49840466087084      2.80561580113869
  H   -1.71804895669901      0.38382909421390      0.91353618030155
  H   -1.31838769894872      0.32557566842250     -1.26451483270566
  H   -6.70134853785244     11.68071287771184      6.08116525458135
  H   -6.44917101124174     11.45483786325685      4.34137414687871
  H   -7.95837155091986     12.22523592678392      4.92650235677264
  H   -5.19268127399346      9.87952756280522      5.55822519984186
  H   -3.31902060693200      8.73648708432545      5.91084571277956
  H   -3.06697278724233      5.34831266988056      5.28857400082808
  H   -3.05296401175283      5.79581874859448      6.98415225838409
  H   -7.54736481410019      5.52525998769055      5.86968847420505
  H   -9.43425732124055      8.47965903005871      5.23247253565590
  H   -11.26965323719513      5.88388907972723      4.17530674995002
  H   -12.80157644685890      5.02473715278006      4.58158087214039
  H   -12.65059961340498      6.75159875748460      4.91951510921678
  H   -10.19341093348824      5.34005896848025      8.47550173237760
  H   -7.39925115688736      3.30122816909499      9.29288001744850
  H   -6.59455182268365      1.70028055336366      5.34155456981664
  H   -6.95581722510004      0.26074138698528      6.31686127418120
  H   -8.64446513298032      2.00819758966227      5.15033132471818
  H   -11.38146387524226      3.88683204001854      4.22925764195395
  N   -4.37506599589461      2.72688596299335      4.16405992118454
  H   -4.78604357806965      3.04586334111775      3.28235160646585
