114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668104-3g1P/orca
  N   -2.78553378402039     -3.52013741762794      2.47104500431293
  C   -2.09865142268738     -4.46980745114046      1.57290518518193
  C   -2.26886009773250     -5.89981098347601      2.04251478659042
  N   -3.65768376724697     -6.07287835578097      2.50434077312073
  C   -4.63117628995300     -5.99824104481117      1.40361330903802
  C   -5.99024940654949     -5.66206095079477      1.97146070017305
  N   -5.89005717416583     -4.69039136093763      3.07353286973551
  Mo  -4.05742964605276     -4.29146924699375      3.81589583374349
  N   -3.14134770307918     -5.56016104920104      5.04967798548729
  C   -3.11894489314018     -6.98343842857953      4.69304135843951
  C   -3.86310116633468     -7.23000756984375      3.39258703414868
  H   -3.58987015578476     -7.59586971416827      5.48176168559178
  H   -2.07865722360563     -7.33837016591783      4.60319570034902
  H   -4.94173965671967     -7.30882467911785      3.58158369349995
  H   -3.52736521927444     -8.16654630457641      2.91459010244520
  H   -6.59551843916634     -5.25890391338391      1.14607671586802
  H   -6.50601113756901     -6.57632183780292      2.31417185824526
  H   -4.30575337500274     -5.19620378910763      0.72994718745985
  H   -4.65714850064317     -6.94029253902685      0.82894872991132
  H   -1.01734092504668     -4.27394150212561      1.54163001977388
  H   -2.45928515401564     -4.35069355708038      0.53623011972245
  H   -1.60436163374127     -6.09010939996900      2.89417099379998
  H   -2.02172655885625     -6.61758934626007      1.24127844115002
  C   -2.52924642434548     -2.09303765286741      2.06420405056533
  C   -1.02774094048637     -1.87029478540080      1.76106825520265
  C   -0.06277792700943     -2.27974904598835      2.87300710898710
  C   1.39811950913776     -2.19607297633905      2.42449591401604
  C   2.35822767722241     -2.98306295809727      3.29492786356104
  Cl  2.07686285655221     -4.77240352295719      3.13294512660255
  C   -2.98388405944893     -1.10910562821556      3.15115523290752
  C   -2.91697394022739      0.36077356080632      2.72546431756233
  C   -3.76035567135343      0.60080763988524      1.47148441245929
  C   -3.34844450070830     -0.34580755656501      0.34354594123451
  C   -3.37992183413918     -1.80960982931509      0.79623157651333
  C   -7.25788439036808     -4.39581093075418      3.64348486270372
  C   -7.71354073516297     -5.58963423282128      4.52375171206582
  C   -6.85576674109777     -5.85255490149744      5.75829844433351
  C   -6.99493384152505     -7.26404628284453      6.33751857702287
  C   -8.39007944508943     -7.54047163100650      6.86880217795851
  Cl  -8.49378072366971     -9.18624022147855      7.60643360899366
  C   -7.30195725633428     -3.10310607197760      4.47492884828104
  C   -7.04212219683653     -1.83468877441136      3.65691497076391
  C   -8.01457538492766     -1.70443965913171      2.48269294240750
  C   -8.02143008906383     -2.98174297437246      1.64035315848510
  C   -8.30850303009687     -4.19910375237468      2.51844432540223
  C   -2.53724662736868     -5.23657881131314      6.39966203303888
  C   -3.71068399653207     -5.20603968961977      7.40597530285130
  C   -3.40391599091859     -4.75038631493021      8.83117318398085
  C   -4.65871059373160     -4.77464320658658      9.70393587155240
  C   -4.42918448851624     -4.32563433826176     11.13488902261969
  Cl  -3.31584830714755     -5.44432232156241     12.02650493064023
  C   -1.49647061006528     -6.29797315274956      6.83067910250348
  C   -0.15843529766843     -6.11565711969690      6.11505710237219
  C   0.53122201810098     -4.82193672822668      6.59583989505925
  C   -0.49888309986319     -3.80888146937814      7.12082944054212
  C   -1.79948006553768     -3.86491026183342      6.31544392767050
  H   -0.76005901872769     -2.39914223393430      0.83257062034167
  H   -0.88171523968323     -0.80663359282846      1.52791353897110
  H   -0.28178771016205     -3.30982121228863      3.19557940295702
  H   -0.20935124619088     -1.64655525337229      3.76276641610100
  H   1.49674543645588     -2.55130186779908      1.38574679143175
  H   1.73673535431364     -1.14550746382688      2.42473063522152
  H   2.23947193735255     -2.75754319503777      4.36284803299587
  H   3.40272217233443     -2.82495185391802      3.00479474079745
  H   -4.03415144393801     -1.32932589662947      3.37847039890112
  H   -2.40517320689221     -1.28145138187949      4.07148398531810
  H   -1.87589471433537      0.67470884467301      2.54568098789507
  H   -3.28354543588612      0.98629823247522      3.55443689428532
  H   -3.67936651319930      1.64849512725639      1.14504798519263
  H   -4.82315149275224      0.42555668810546      1.71789528478815
  H   -2.33898473080022     -0.08242886815281     -0.01261070499160
  H   -4.01837682944924     -0.22419092634535     -0.52172080266211
  H   -3.04830688879149     -2.45682588375640     -0.02944972686871
  H   -4.41945772884315     -2.09486065397361      1.03489801053401
  H   -8.75735638389445     -5.39347208593559      4.81596180774489
  H   -7.74813781019797     -6.49896798266558      3.89973470253237
  H   -7.07463733198317     -5.11311857713692      6.54585966398460
  H   -5.79659077031705     -5.70696977692542      5.49249849003261
  H   -6.27161664919097     -7.39689585274967      7.15711153237451
  H   -6.74612408084837     -8.01140799931211      5.56581461759066
  H   -9.15094890197569     -7.51428908383530      6.07969007685741
  H   -8.66851182443685     -6.82971351742829      7.65774198043095
  H   -6.63107497762167     -3.19001641781194      5.33747048735003
  H   -8.31889145995468     -3.05039205985058      4.89797993991607
  H   -7.12202515202391     -0.94589834784269      4.30577159245235
  H   -6.01527745907392     -1.85478138033303      3.25961607497185
  H   -7.74827177448260     -0.83324983245894      1.86459402497211
  H   -9.03265601350637     -1.52211292740663      2.86816088352549
  H   -7.04233756780692     -3.09787747141883      1.14311095034500
  H   -8.77530855646121     -2.90979434974667      0.84193299479451
  H   -8.43101629712932     -5.11247760015315      1.92073239197404
  H   -9.27518802709185     -4.04908487483145      3.02624434331943
  H   -4.48525386820880     -4.54644262798092      6.98770816216242
  H   -4.15034418176460     -6.21822717638318      7.44322628707423
  H   -2.64164754471475     -5.39289548352793      9.29623678662836
  H   -2.99308097202447     -3.72700844805118      8.82410846188321
  H   -5.09829987962230     -5.78560194280636      9.70569365158777
  H   -5.42220519416887     -4.10015901672667      9.27506482847622
  H   -3.95886711832529     -3.33502092435870     11.18187167732759
  H   -5.36108224019782     -4.31135484554379     11.71138058363344
  H   -1.89430048519184     -7.31362658992139      6.71967722368580
  H   -1.33453603698343     -6.17630131380783      7.91173708035701
  H   -0.32502931104518     -6.06146716759241      5.02590529108145
  H   0.49131903921068     -6.98625679339761      6.28278867206083
  H   1.25745723318643     -5.05257659356497      7.38957290200942
  H   1.10267339823207     -4.38480991219865      5.76464270991185
  H   -0.08771009717542     -2.78870129164710      7.07433812665982
  H   -0.71171076079804     -3.99959253895167      8.18351928704814
  H   -2.47162359882857     -3.06667841233007      6.65440225166864
  H   -1.56267037415053     -3.66346644797998      5.25939023961510
  N   -4.34924557799529     -2.95642824983418      4.92543777634641
  N   -4.55890798784862     -2.01954723169642      5.83042363384097
  H   -5.41723336883067     -1.47978498817745      5.67971788391501
  H   -3.74257125694755     -1.43261026483869      6.02430610799840
