78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670614-SqQE/orca
  N   -3.56480902448996     -3.40688569872852      2.45838747523878
  C   -2.92178356277098     -4.01414439373385      1.28285893303090
  C   -2.50434863652793     -5.44121585945638      1.60480268994741
  N   -3.56047670435914     -6.14044268561701      2.38985302729503
  C   -4.71682446507905     -6.57992540621320      1.55965153336205
  C   -5.96657471214667     -6.71376393824890      2.42371204892292
  N   -6.14181317391903     -5.47952400915761      3.20538256718257
  Mo  -4.41263026672112     -4.60932181827060      3.79200962434892
  N   -3.39550932001638     -5.75007618039084      5.06100247972699
  C   -2.40337730620802     -6.67807433130149      4.50040260693004
  C   -2.98510502390972     -7.24640860681307      3.20962640011762
  H   -2.20645457058258     -7.50257462028842      5.20366597188274
  H   -1.43782605187614     -6.17543533599313      4.31402295560281
  H   -3.80338103869892     -7.93207993218315      3.46549752860062
  H   -2.23479476443819     -7.80588634629440      2.62654447043661
  H   -6.83557965019255     -6.88512572162056      1.76634006307465
  H   -5.88032152225955     -7.59622170472859      3.08438357796056
  H   -4.88488794349321     -5.80605156275872      0.79784828777190
  H   -4.49133433634831     -7.52808072846917      1.04314616475984
  H   -2.02626458485056     -3.44619586996131      0.98118918943994
  H   -3.61639005122249     -3.98012593976918      0.42317005675009
  H   -1.60649652439950     -5.41744012754791      2.23797231578330
  H   -2.26006587077632     -6.00552957006776      0.68922288127834
  C   -3.73466573488844     -2.00315534153693      2.43632141020438
  C   -2.65444875188953     -1.10200910050430      2.33530243983980
  C   -2.85553526926554      0.27097625692822      2.45842180163229
  C   -4.14007939927169      0.75110802212327      2.68287567759301
  F   -4.31763844303576      2.07742111584722      2.87510730633778
  C   -5.24692198071940     -0.10734722368377      2.75003974178085
  C   -6.61349081964007      0.33526586913605      3.04227190315780
  O   -7.54283375805892     -0.42191560645858      3.32276635065366
  C   -7.02340119778229      1.80863185993751      2.91615554778419
  O   -7.22823595633392      2.31981330048283      1.84319308173439
  C   -7.27808264893403      2.50453110461078      4.27533404182323
  O   -6.91181230317343      2.03073551904859      5.31368559247781
  Cl  -8.08453798908854      4.06115448394390      4.12903579737438
  C   -5.01592129578210     -1.48092556640075      2.59065586426803
  C   -7.34378205841551     -5.28765076566539      3.87628132033446
  C   -8.18107847616345     -6.35259427982015      4.30770796473376
  C   -9.28533494762836     -6.15571686693316      5.13943956709281
  C   -9.60969313919166     -4.88006808212322      5.55577438198946
  F   -10.61745458221312     -4.64747981254536      6.39860032956803
  C   -8.84928136186222     -3.78471375665604      5.06527669035375
  C   -9.12913799044546     -2.50048487043820      5.47784522344184
  O   -9.35836738296718     -1.43486907059062      5.80311392638060
  C   -4.26112554731375      0.04867238366767      6.51929530593926
  O   -5.44676427325207     -2.60770126560950      5.75206580310209
  C   -4.75814446106818     -0.67271136052098      7.74813601202660
  O   -5.86876795186461     -0.60774502236332      8.17813137015733
  Cl  -3.48913900105911     -1.67522944077761      8.56966252949165
  C   -7.74932143025797     -3.98566474762626      4.19567229035188
  C   -3.53428111479962     -5.65376591954950      6.45895860550103
  C   -2.45278883572972     -5.50132212235948      7.34924443907415
  C   -2.68163232562699     -5.25037005690144      8.70096553669292
  C   -3.98606680470152     -5.13884414189432      9.17302152042821
  F   -4.17463124020969     -4.84913975388855     10.47407059530703
  C   -5.08846581356863     -5.35907962933218      8.33084278842203
  C   -6.51123120872821     -5.27592394308354      8.70082319566994
  O   -7.40615439842137     -5.85199197523060      8.08796055335243
  C   -7.03947983091745     -4.41457800037125      9.85330923399921
  O   -6.96077220610246     -4.71942447585911     11.01662722540994
  C   -7.87780581156879     -3.20145748546186      9.34359281575466
  O   -8.03068986491583     -2.94028186915873      8.18407083022269
  Cl  -8.54506357454015     -2.23836315990421     10.65739270655884
  C   -4.82747906935489     -5.64771785540773      6.98323611680801
  H   -1.63935154203482     -1.48133802129080      2.20712357232459
  H   -2.02116299698888      0.97126322572579      2.42793970596025
  H   -5.87264263498989     -2.15192957465722      2.60088352878439
  H   -7.93562209740703     -7.37528570558298      4.02165311539373
  H   -9.87954297662320     -6.99786907013151      5.49408557093221
  H   -7.21587977750579     -3.11754289469860      3.81927708802619
  H   -1.42773301654304     -5.53117320738814      6.97646026533136
  H   -1.85498862534064     -5.10524558042608      9.39674276773391
  H   -5.67727287697231     -5.82659685937685      6.32481631831284
  N   -5.03873969090044     -3.40481206614152      4.95361515319919
  N   -3.07388998132648      0.06818779051843      6.07075765975330
  H   -5.06250819140240      0.61001621586615      6.02023582613074
  H   -2.45729523592305     -0.50855921186944      6.66947714384286
