96
Coordinates from ORCA-job orca
  N   -3.08080533045125      0.16233725734668      4.79527864870879
  Mo  -3.75095890996354      2.00653007261055      5.48019042883817
  N   -4.77437546295854      1.05289589367832      6.96258306747561
  C   -3.93304196546135      0.57299139969393      8.05449693642747
  C   -2.53292683772681      0.22915159879691      7.56252550971049
  N   -1.99130371146107      1.34085553695747      6.71062958475719
  C   -0.98236661979291      0.84722243695449      5.73564216980823
  C   -1.67071288456704     -0.12030755995794      4.75786576408648
  C   -1.45206209994026      2.44880469605218      7.55942775126120
  C   -1.86647370144219      3.76943167988627      6.94460057967080
  N   -3.25545623721024      3.61674628305192      6.59270256214032
  H   -1.21926865152490      0.00557413865553      3.75096175836251
  H   -1.48512858887859     -1.17303791915815      5.05278791808775
  H   -0.59668210137551      1.72787079026541      5.20709477693176
  H   -0.14488442694269      0.36364097191108      6.26800241676462
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  H   -1.91409146200386      2.35781934800357      8.55041526811546
  H   -0.36199031642650      2.34135855290565      7.66792959131012
  H   -4.36626194377677     -0.32802473630721      8.53366331418889
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  H   -2.55950677028141     -0.67675333593489      6.95011612464111
  H   -1.85026174892149      0.06166167733510      8.41189831424822
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  C   -3.74767133928763      0.69227653976186      0.82224502354782
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  O   -5.46077434823640      0.53186735995949      3.03787956029723
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  C   -2.57426306746175     -1.24693470277997      1.68951505343556
  C   -1.74706674513414     -1.27337382781463      0.56893680098307
  O   -0.77543442388181     -2.23321102112552      0.44313830841924
  C   -9.72095035480108      9.31848935825793      4.59540429783180
  C   -9.64784307919479      7.87997856968060      4.16335201016294
  O   -10.64356346604936      7.37596574206849      3.55356591950959
  C   -8.48841833174375      7.07644507066830      4.46686439198458
  C   -7.33857604771545      7.59502702341454      5.11669221731982
  C   -6.26034791180068      6.80039552351531      5.44604832693996
  O   -5.15498037090331      7.32551202901216      6.07244087630008
  C   -6.26498051689673      5.39640736234178      5.14645113022838
  C   -5.23124251044678      4.48829694326303      5.50884383952628
  O   -5.42081147898915      3.20444157451760      5.31155825789738
  C   -3.87853278308388      4.83277590951164      6.08256748809815
  C   -7.40615530628887      4.88625541073519      4.46148941518312
  C   -8.48703690854906      5.68354242818981      4.14121092549899
  O   -9.59134930069726      5.13000370437768      3.56067728220512
  C   -12.08934476317861      5.79385540105880      6.39057536652227
  C   -10.78060547358311      6.19478180251734      7.02120042137793
  O   -10.61150463871449      7.35229226556830      7.40423648958158
  C   -9.68932916345128      5.17897805476201      7.23268392473715
  C   -8.68692415853388      5.54106803299025      8.13801665513379
  C   -7.63758352430945      4.68154136257170      8.46453941419071
  O   -6.70829458101471      5.09743407241136      9.34588282168425
  C   -7.56380877376973      3.39783994549350      7.84098584969591
  C   -6.41277162429014      2.53711053326866      8.12251331288703
  O   -5.58940680611294      2.86295771621887      9.00718859609177
  C   -6.16319630987762      1.24983016660680      7.32459464920094
  C   -8.57109554718565      3.04859731681698      6.92350287031514
  C   -9.61002712953819      3.91058534166614      6.59687071930373
  O   -10.49459832223033      3.49485635114630      5.62779828181211
  H   0.71772802090334     -1.33003825122495     -1.32744307319958
  H   0.32001909903173     -1.03675502479794     -3.05655488790487
  H   -0.58287059586754     -2.24845103453532     -2.07005479625755
  H   -3.00610575084721      1.43850194743446     -1.05414192765965
  H   -5.24372665475488      1.38044927882774      1.74032592009187
  H   -4.88704233868979     -0.91701009582987      5.00993761947583
  H   -3.53727138243263     -1.83104172197301      4.25355228870723
  H   -2.43631184193464     -2.01036103144135      2.45868267337540
  H   -0.82776552763357     -2.82517546268284      1.21530233019884
  H   -9.75410654575111      9.37449363873579      5.69508725161980
  H   -8.84640992359805      9.89291100634122      4.25662486483975
  H   -10.63300966220429      9.76897853125469      4.18868340571099
  H   -7.30674703253293      8.65459676721862      5.38014492317200
  H   -5.33776988557855      8.26133389558362      6.27332476229905
  H   -3.25412800150360      5.29380424578310      5.28067303615030
  H   -3.94965220171176      5.59731296167950      6.87377367956763
  H   -7.43738859628976      3.82595156969480      4.21590251043912
  H   -10.21346747673165      5.95473418451617      3.41046552384835
  H   -12.00230732759934      5.88960818077243      5.29648981337797
  H   -12.36177537959428      4.75418358297241      6.60515063394350
  H   -12.86322474114215      6.49357100855631      6.72865045501593
  H   -8.73781023160126      6.52427299803435      8.60663646477292
  H   -6.07461070523039      4.30936804561890      9.42905852843345
  H   -6.76757420281117      1.25642556572423      6.41118273030801
  H   -6.53076669025787      0.40913118512525      7.94911379446497
  H   -8.53712207176565      2.09924797690412      6.39137653116356
  H   -10.35469161995201      4.06322284818105      4.82524633792398
  N   -3.26918534320250      2.83450710637671      3.91360658470344
  N   -3.40736722579335      3.56435255649243      2.85205280703817
  H   -3.44968905004859      4.58294937316679      2.93582352884619
  H   -3.81662306111545      3.13741158905322      2.00814745137738
