95
Coordinates from ORCA-job orca
  N   -3.34010535721390      3.18163560999283      4.09252850593727
  Mo  -3.46650375217005      1.31566268985621      4.80397694208506
  N   -5.12598238484078      0.79392421639946      5.79331920066499
  C   -5.42006164047527      1.44943228278597      7.06236639571563
  C   -4.57346368217233      2.70706567947402      7.18151748770650
  N   -3.20488710703136      2.41909347519321      6.68213081553216
  C   -2.45102744750617      3.64720459739977      6.33543316292517
  C   -3.01093771044087      4.24035522298059      5.05289672601410
  C   -2.45493981433835      1.53309191335192      7.60332670895585
  C   -1.31832786047229      0.87838745015655      6.84116696243143
  N   -1.74850795444300      0.52833871656946      5.49117843872202
  H   -2.25735095395999      4.93450114930720      4.63174749230668
  H   -3.89574907826851      4.86666675135036      5.28445283724263
  H   -1.40687129240234      3.34681509899686      6.17845113024984
  H   -2.48279809546296      4.37588527692577      7.16610548355629
  H   -0.98236728017161     -0.01809366924357      7.39863327393363
  H   -0.43464956822659      1.55089425381031      6.79917283203478
  H   -3.15589907084646      0.76615963748340      7.95580651152645
  H   -2.08937612324204      2.09735532694186      8.48014121316325
  H   -6.48878922251656      1.73576711286440      7.11197388079335
  H   -5.24425119993716      0.77918115736255      7.92860198610265
  H   -4.99282747810622      3.49230628099924      6.53864160798741
  H   -4.53733301919620      3.08677005778110      8.21824575345499
  C   -3.57752294544344      3.73245467490117      2.75579845869966
  C   -4.54890980470655      4.93046744916066      2.71294102368447
  C   -5.90267068358307      4.67908289096673      3.35949639656608
  O   -6.82575728204658      4.22035543895298      2.33301813374338
  C   -7.81063417133567      3.39333325038247      2.67503237365558
  N   -7.93983037064240      2.94804432068107      3.91307407902249
  C   -8.92451049481229      2.03797145035313      4.14081953242718
  N   -9.78306711584028      1.53449907166945      3.28002128026636
  C   -9.68319928834219      2.01787194698165      1.99982774666912
  C   -10.54615629980888      1.53996764176869      0.98836021733365
  C   -10.42369573509765      2.05519986286199     -0.28554331387809
  C   -9.45174209463398      3.04988847728046     -0.53487105600702
  N   -8.61202801333595      3.51336771472298      0.38277516110869
  C   -8.71732851963065      2.99314977595145      1.62716522982274
  C   -0.62967771453455     -0.06856362463734      4.77235955054969
  C   -0.92284147160608     -0.23827744217398      3.29514423762972
  C   -2.02706444281287     -1.25870056308707      3.05134218137011
  O   -2.67596091275900     -0.99246338888433      1.79921950585167
  C   -3.77659542559673     -0.21751076153010      1.78935537028747
  N   -4.19900824916149      0.49422469918024      2.87713519727914
  C   -5.46636263146044      1.04998916411946      2.71415399273284
  N   -6.21913197427155      1.08292956610994      1.65547830996732
  C   -5.70765148916600      0.52389687290120      0.50467210050611
  C   -6.40032893937639      0.60336246005601     -0.70715314700849
  C   -5.82779950673910      0.02335977326122     -1.83837155611522
  C   -4.58952032329055     -0.62634806313884     -1.70650131479357
  N   -3.90728156944440     -0.74357242135843     -0.56777651700310
  C   -4.45796574321156     -0.16128424585588      0.53874611243985
  C   -6.02124121588285     -0.31581756204185      5.51392488597271
  C   -5.67766142872391     -1.59804853458860      6.28498515367197
  C   -6.50319748653516     -2.79504928921902      5.84406906973801
  O   -6.16007126497167     -3.14934339859122      4.47428268007097
  C   -6.95646730314017     -2.74076135061996      3.48018456873408
  N   -8.09929261351398     -2.12429710629017      3.71801787596592
  C   -8.84722355316656     -1.76189305309881      2.64255751069966
  N   -8.58438569825235     -1.97159178035474      1.36775062334604
  C   -7.39793097695445     -2.60624124737311      1.10825604433900
  C   -7.01104718859982     -2.88377492785748     -0.22428193876838
  C   -5.79551401939426     -3.49094421450289     -0.44767691796009
  C   -4.96737767073034     -3.81098079438857      0.65278992779549
  N   -5.29896054607649     -3.58971796299840      1.91699884088969
  C   -6.50255961031489     -3.00579312002176      2.14055623011145
  H   -2.61762794328927      4.07425832047968      2.31816676494716
  H   -3.94972770460643      2.93068869522951      2.10581820198978
  H   -4.08664635699783      5.79629029731540      3.21029333721561
  H   -4.70014072229406      5.22878810892628      1.66415478414322
  H   -6.33092587713615      5.60054061583096      3.78225441739131
  H   -5.83917590021250      3.92531205419858      4.15606198791287
  H   -8.99427526587055      1.68093026918892      5.17359288273205
  H   -11.27979288245186      0.77322180111815      1.24121054989516
  H   -11.06543861609957      1.71027292094969     -1.09759924227714
  H   -9.35882768424181      3.47996992972972     -1.53705461582972
  H   0.27036187430123      0.56918036487731      4.89376708639238
  H   -0.36761905817203     -1.04916512095418      5.22466863114927
  H   -0.00969038092641     -0.52732851135779      2.75392841202455
  H   -1.24591513085810      0.73386399586730      2.88614070471077
  H   -2.76622521873250     -1.26033414488440      3.86429067312221
  H   -1.62513095650823     -2.27602760694006      2.95047386318956
  H   -5.85214276047228      1.54045943337025      3.61346448432518
  H   -7.36448670372542      1.11169723063284     -0.73335848523325
  H   -6.32294564811959      0.06437653672016     -2.80918276268363
  H   -4.12692116691605     -1.08825018840382     -2.58574055592043
  H   -5.97369801714205     -0.53630906025092      4.44045631979274
  H   -7.06988326315510     -0.02980681769906      5.73033882988434
  H   -4.60700291997601     -1.81983535405975      6.14182401085238
  H   -5.84056723047401     -1.45927144550942      7.36674353097823
  H   -7.58141833214369     -2.60079179495759      5.91069725898801
  H   -6.24908922895035     -3.68908418652405      6.42838366586163
  H   -9.76921009272028     -1.22364147416700      2.88030392263556
  H   -7.67818035470400     -2.59245185289940     -1.03614026189203
  H   -5.45078116222297     -3.70644898439032     -1.45957707603887
  H   -3.98607741279128     -4.26192396982720      0.47964148928263
