77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670608-ZB9g/orca
  N   -3.59018314100648     -3.56266157821435      2.17247862961394
  C   -2.65577495996570     -4.05415744496150      1.18044363592213
  C   -2.22150744189163     -5.43319754857121      1.67304633172660
  N   -3.31005485598581     -5.98433211525057      2.51229442714788
  C   -4.43967578400775     -6.43304500935448      1.64403855677688
  C   -5.73726103013866     -6.47998213186812      2.45507851609539
  N   -5.72695701620913     -5.29800610888646      3.29095221654092
  Mo  -4.11885338023695     -4.36120294086657      3.84230878519534
  N   -3.33827893838335     -5.67835081334351      4.99249358365346
  C   -2.29091240929181     -6.61199853776090      4.62140862985523
  C   -2.79024814060147     -7.14744725573249      3.28151218924226
  H   -2.19546245926889     -7.42126876796659      5.35288937004412
  H   -1.31813228364074     -6.10858913194190      4.52235468617693
  H   -3.60702488151438     -7.85187118547210      3.46706879142475
  H   -2.00134395013941     -7.65903026618667      2.72078894372599
  H   -6.59718490955331     -6.48484953776141      1.77495425057303
  H   -5.79550695775183     -7.38008169880074      3.08747013392701
  H   -4.56626261075374     -5.72449725580152      0.81927918282922
  H   -4.20592306044781     -7.41549155688325      1.21973244854493
  H   -1.78225474646107     -3.40039102139190      1.07373328530091
  H   -3.15219512957203     -4.09610523714810      0.19974075330793
  H   -1.32456294953895     -5.34325905091719      2.29552492743106
  H   -2.00794329088219     -6.10417647058228      0.83307593365994
  C   -4.03154286085545     -2.24529482887602      2.11478463336135
  C   -3.16589700659107     -1.14700384749221      1.91364319006188
  C   -3.62746578678933      0.14948797155495      2.00802787490986
  C   -4.94153227908130      0.38412390234932      2.38271827729850
  F   -5.35211774053429      1.65008128372607      2.54432122732291
  C   -5.84219973476557     -0.66500484902089      2.56291667780016
  C   -7.20803267139986     -0.47698835761167      3.11194033915725
  O   -8.09017556651317     -1.29516806473545      2.95811909819205
  C   -7.42354630324212      0.76064759378602      4.00822099824454
  O   -8.35884046249038      1.50725618223829      3.83024178449157
  C   -6.39877384853450      0.98877308743234      5.09371586194445
  O   -5.39623650022350      0.31400826146704      5.30095563080309
  Cl  -6.67187126811518      2.47515325864391      5.94024631886934
  C   -5.39588454062545     -1.97749930175447      2.32856809966245
  C   -6.86007832332011     -4.81454795592053      3.90750270054147
  C   -8.16063284871163     -5.33783812655802      3.96436085678340
  C   -9.11272402341956     -4.68125680021547      4.73424253133787
  C   -8.79930947386244     -3.53817391618507      5.46354547150927
  F   -9.73769586828116     -2.98620785941808      6.24789612091120
  C   -7.51283785804584     -2.97998554549221      5.43348160411591
  C   -7.08434519023170     -1.73501237307891      6.16008831826227
  O   -7.80054679265599     -0.71855664303409      6.17969922841028
  C   -5.69382203628689     -1.70193374132677      6.70018890879234
  O   -4.81741216874164     -2.62669251506170      6.45101197100404
  C   -5.31525239268784     -0.55412945108854      7.54323757455379
  O   -5.99101990917222      0.25834034416295      8.09821354675128
  Cl  -3.56202882019130     -0.51157337616755      7.73495171796475
  C   -6.60407571077082     -3.64072357489024      4.61568946442212
  C   -3.70342069285702     -5.53046422433981      6.32618855541689
  C   -2.74272164598520     -5.35057586243008      7.34419944863638
  C   -3.12889685344295     -5.11680592666723      8.64831176087724
  C   -4.47864082156596     -5.04632380489616      8.96099091103437
  F   -4.83663274862525     -4.77646240821213     10.22610218633415
  C   -5.46110432852944     -5.27724151943121      7.99543867992789
  C   -6.90707615280003     -5.19495146221727      8.26912189667530
  O   -7.75836013450746     -5.43550834132157      7.43763209710387
  C   -7.32780195678825     -4.65102594104043      9.64400144101384
  O   -7.75663454925034     -5.29573114341601     10.55942090004079
  C   -7.19606273017958     -3.11935290521923      9.64600948419438
  O   -6.32552034967567     -2.52556737094568      9.06377990347587
  Cl  -8.47413166208056     -2.32467484888810     10.49057164703047
  C   -5.05577207309684     -5.55196977553951      6.68051951302278
  H   -2.12250277446232     -1.30974711894963      1.67404144762402
  H   -2.97152573258521      0.99249653177104      1.83621445525510
  H   -6.14829162628605     -2.76085775669427      2.27694887323908
  H   -8.43458413830870     -6.24074226873991      3.43498294802837
  H   -10.12227171836096     -5.06405745589251      4.80066010915873
  H   -5.57967753918387     -3.18132153045233      4.49879094009335
  H   -1.68681359210896     -5.39425409182057      7.10682152778310
  H   -2.39807264914201     -4.96612449216657      9.43160420381142
  H   -5.83013801398073     -5.82832901638853      5.97186388651157
  N   -4.75744424680489     -2.75146190556817      5.11488876605609
  H   -5.70634852878416     -2.66002097990284      5.54374736287212
  H   -4.18744842722420     -1.93207447240045      5.40689181858759
