113
Coordinates from ORCA-job /scratch/magstr/orcajob__5668097-CB3I/orca
  N   -2.67173183351726     -3.56609441873186      2.52996443540997
  C   -2.00471425498103     -4.53537841945535      1.64692795348164
  C   -2.23215093267686     -5.95765945980381      2.12783253797717
  N   -3.63122414798607     -6.09549925615009      2.56128399849892
  C   -4.58944986561803     -6.01342674436771      1.45253046161637
  C   -5.96138386725701     -5.65532864938559      1.98532671694271
  N   -5.89774414760394     -4.62153195490833      3.03002413050570
  Mo  -4.03035970564042     -4.30550278293036      3.83295457494313
  N   -3.11307174514497     -5.57508230499875      5.12870689996128
  C   -3.13624808900921     -6.99459419461392      4.77826365426172
  C   -3.87641284230814     -7.22758591683667      3.46832372868370
  H   -3.63072155180088     -7.60906358869966      5.55673970221565
  H   -2.11178550110503     -7.40281415459264      4.68455401757530
  H   -4.95919988966191     -7.26686366630541      3.64526926738959
  H   -3.56881345508228     -8.18718229830376      3.01004357656454
  H   -6.55090959870560     -5.31650774693543      1.11681369123783
  H   -6.47128772194804     -6.56755374179866      2.35318902791500
  H   -4.24056998032546     -5.21927718038836      0.78014261735143
  H   -4.62531722618411     -6.95824415467688      0.87689001320295
  H   -0.91236253113605     -4.38286570245375      1.61518752924373
  H   -2.34813780045640     -4.42990686406185      0.59918807491599
  H   -1.60015286891044     -6.15284359093533      3.00261677755496
  H   -1.97606104851597     -6.69121007034814      1.34016183240751
  C   -2.47995426609921     -2.16141354037981      2.05273222520690
  C   -0.99329700956148     -1.89775317319923      1.70158604615474
  C   0.01688805646293     -2.22124615832810      2.80119021428271
  C   1.45212452774865     -1.92929715950166      2.36127433289749
  C   2.51333699999074     -2.52004102085163      3.26985082035482
  Cl  2.58651418653748     -4.33025037444991      3.11947959108101
  C   -2.93112162764116     -1.16229386790309      3.12942275380587
  C   -2.94964331490839      0.29641713122090      2.66667440331976
  C   -3.83899725663525      0.47028146296865      1.43330996726804
  C   -3.40838469124052     -0.47762272160999      0.31283555741857
  C   -3.36503062855095     -1.93035365254420      0.79788109240031
  C   -7.27869598527054     -4.34096621827930      3.54564428440327
  C   -7.75681480695232     -5.48696044743477      4.47869870164172
  C   -6.91616088739689     -5.70308410442896      5.73464955550783
  C   -7.19747610530413     -7.02031055860987      6.46547393762530
  C   -8.60227291929625     -7.07480803704678      7.03507659055551
  Cl  -8.88234438707284     -8.60205400757575      7.97231068437361
  C   -7.36161044723282     -3.00415356912205      4.30227984826455
  C   -7.04871446612879     -1.79654931463343      3.41584500533607
  C   -7.99296952235440     -1.71995392494463      2.21459942800331
  C   -8.00920845224258     -3.04649766177605      1.45004764810002
  C   -8.31247500877856     -4.21297712026417      2.39159834216535
  C   -2.52121194217386     -5.29663275996589      6.48008459664930
  C   -3.68188383240378     -5.37748701430448      7.49921317815910
  C   -3.35684043892353     -5.10688272162158      8.96764435732146
  C   -4.62018737119377     -5.11092610125633      9.82782783488709
  C   -4.38401550685207     -4.82937116252448     11.29861223961200
  Cl  -3.40515952452495     -6.13427147223069     12.09969895345243
  C   -1.41488036414670     -6.31722181618641      6.84171844387252
  C   -0.14874274108438     -6.10915015762041      6.00938218857848
  C   0.51217649310058     -4.74903403320026      6.33652364668487
  C   -0.45590082469220     -3.82759172600559      7.08789161985642
  C   -1.86266099465834     -3.87887554403756      6.48824368982693
  H   -0.72570737256461     -2.46149691057880      0.79241484914367
  H   -0.88627450362826     -0.83902652759863      1.42155358534262
  H   -0.06789662933652     -3.28045138957702      3.08757690467456
  H   -0.20571229551721     -1.64313418840667      3.71239370866206
  H   1.61973010755594     -2.29869126836112      1.33611807756245
  H   1.61932697354404     -0.83790253715243      2.32799404741212
  H   2.31275123903983     -2.31777242704037      4.33017410721345
  H   3.51944661049437     -2.16748540987626      3.01597322673264
  H   -3.94761270254031     -1.43929132834230      3.43542938148260
  H   -2.31515355690689     -1.28679140264030      4.03236798670562
  H   -1.93040837577638      0.65449920138634      2.44146856468813
  H   -3.31801407199484      0.92665152541032      3.49185748913142
  H   -3.82171707734201      1.51508978158877      1.08478440326054
  H   -4.88388817280287      0.24414109657057      1.71229038488006
  H   -2.41698149055599     -0.17500905517767     -0.06515654374500
  H   -4.09908345322728     -0.39838856961469     -0.54224218411324
  H   -3.02758440076470     -2.58324342870278     -0.02221489089729
  H   -4.38627212711532     -2.25259467374514      1.06680718524643
  H   -8.80315947710844     -5.27014214719421      4.75238996898224
  H   -7.79056461373254     -6.42717999680910      3.89989375329862
  H   -7.04949311699559     -4.86187226613293      6.43416434877307
  H   -5.84883960672995     -5.68979090931416      5.46126455671620
  H   -6.47682708207620     -7.14292556419599      7.28926553688398
  H   -7.05033473535609     -7.87129317456862      5.77985378469748
  H   -9.37259432278489     -7.05989423842464      6.25545308545638
  H   -8.78575141403457     -6.25096231405285      7.73691405488107
  H   -6.71375349752177     -3.03439691967954      5.18470948343953
  H   -8.39789649857275     -2.91573093021171      4.67307641770417
  H   -7.10573089784851     -0.86848708463579      4.00814556356380
  H   -6.01317159049807     -1.87708569832390      3.04693945006937
  H   -7.70167137798354     -0.89301612422830      1.54701357299930
  H   -9.01536626802195     -1.49744964712268      2.56944911187106
  H   -7.02588308616489     -3.19977825826566      0.97305391505057
  H   -8.75492661506176     -3.01294875029918      0.63980156320639
  H   -8.41814191701544     -5.15642616371412      1.83684384666005
  H   -9.29181760650574     -4.03859582234905      2.86892255891934
  H   -4.43969010100936     -4.65563878437749      7.15520521099983
  H   -4.13893590389075     -6.37973547549761      7.41767287423925
  H   -2.65853607010770     -5.86056137195564      9.36248696888007
  H   -2.85633909805209     -4.12879602227347      9.07347982158439
  H   -5.14961321279633     -6.07210784638847      9.71994314487499
  H   -5.31407131951500     -4.33077440816637      9.46474734215129
  H   -3.81871489547562     -3.90099131128471     11.45108510487877
  H   -5.32254618084858     -4.78007982384870     11.86270640396615
  H   -1.78939137296338     -7.34598736372962      6.75970088858004
  H   -1.16807336884891     -6.18643094501751      7.90579166609401
  H   -0.41579526515962     -6.13981450898525      4.94112919774253
  H   0.55842470389005     -6.93558149922642      6.17661937688050
  H   1.42281660885370     -4.89764358042874      6.93724629981059
  H   0.83241320240890     -4.26334413593793      5.40295971103385
  H   -0.08757883906480     -2.78956434411749      7.06193915545623
  H   -0.49552223570556     -4.10745054611055      8.15305566061849
  H   -2.50480529627588     -3.17928932925627      7.04378321687856
  H   -1.81221858605443     -3.51773808650756      5.44813611411579
  N   -4.48142896899025     -2.88274090133170      5.24189406110141
  H   -5.09874050015930     -2.09414096724741      5.04742849614533
  H   -3.74393261172723     -2.52733981759990      5.84965942848742
