78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670613-z9VP/orca
  N   -4.17449046748916     -3.28080877061087      2.70408149492327
  C   -3.78789221509294     -3.75336704477626      1.36730204488915
  C   -3.16945129676252     -5.13528781895912      1.52269492029779
  N   -4.06202508170600     -5.99417236887667      2.34909073231437
  C   -5.13755036969898     -6.61724626290718      1.52976014102844
  C   -6.35087783167368     -6.88512244548468      2.40325486215315
  N   -6.63387059156448     -5.66153887934156      3.15609698998172
  Mo  -5.03456971351458     -4.64511067472088      3.89194652492497
  N   -3.69199280520856     -5.55587188410498      5.01204387806455
  C   -2.67230399440795     -6.37621634746155      4.34968108672875
  C   -3.30027395995303     -7.01458844427820      3.12090192777168
  H   -2.31816578932204     -7.17018794839634      5.02855527520318
  H   -1.78639855506082     -5.77328358546717      4.07328967808520
  H   -4.01989107308420     -7.77799667769229      3.44695872789993
  H   -2.54440491995350     -7.49989208561684      2.48042857934112
  H   -7.20783953300206     -7.15050282763236      1.76147157467283
  H   -6.17413249724746     -7.74934057265185      3.07132108813003
  H   -5.41613707364399     -5.89494008529069      0.75056057132772
  H   -4.76495378865208     -7.53282739857926      1.03970535886484
  H   -3.04174555425511     -3.07728500700163      0.91920769259494
  H   -4.65273011124284     -3.78095949580568      0.68012505343006
  H   -2.21378571936340     -5.03677833450962      2.05521092768147
  H   -2.97265659457476     -5.61030389092186      0.54647668763544
  C   -4.04295981786582     -1.91751710426551      2.97450984535350
  C   -3.76251624358209     -1.49067227035982      4.29748056158083
  C   -3.68390276922803     -0.14129295272688      4.62935001579154
  C   -3.83419315846044      0.80581443539578      3.62476659181822
  F   -3.76255488094457      2.12111524351492      3.94957162624772
  C   -4.06145791934906      0.43292950746954      2.29321171679348
  C   -4.22609264802811      1.41712483854344      1.21418350199155
  O   -4.58722900631412      1.15074960808158      0.07242662535302
  C   -3.83775208082267      2.89022270583961      1.40560161553113
  O   -2.69493845921908      3.26802962558251      1.31684108034137
  C   -5.05261902956935      3.83661499272586      1.56459552661781
  O   -6.15193716209696      3.43813423710371      1.81549116276234
  Cl  -4.63169105362812      5.55081050285619      1.41380458708510
  C   -4.17399356325424     -0.93380799167544      1.98475383849318
  C   -7.90565428759960     -5.52095138142457      3.73566885838229
  C   -8.66956395811263     -6.56472205544079      4.29328989685352
  C   -9.73434280799428     -6.26642876550140      5.14625840756634
  C   -9.98146244434552     -4.94465285714794      5.50970442113494
  F   -10.89320041607976     -4.69891769870000      6.47541540314837
  C   -9.25081598911475     -3.88507774520375      4.94844549985264
  C   -9.19525990479300     -2.54604435763482      5.59982723310265
  O   -10.15259514435386     -1.88715057720508      5.95323929565384
  C   -7.75670232129781     -2.01703282637034      5.98191347084511
  O   -6.50798144027820     -4.24271756497294      6.28849954037069
  C   -7.47754417399864     -2.37996591913533      7.44829419346455
  O   -8.21709855219802     -2.83124791111276      8.25911832481851
  Cl  -5.82514225993487     -1.69269613246740      7.96153029576057
  C   -8.33244590256419     -4.20713834244874      3.94573401666094
  C   -3.41583003393289     -5.13084826071788      6.33654040605362
  C   -2.32098647440232     -4.28528599145955      6.61218362605420
  C   -2.09473651713131     -3.79368365142649      7.89491001941689
  C   -2.96755249779302     -4.15878094068637      8.91221208525612
  F   -2.77143094802500     -3.63759211204485     10.14744420244751
  C   -4.04638059553379     -5.02422091207261      8.68992798598349
  C   -4.97874174644663     -5.42537205468500      9.75040899292577
  O   -6.02598016469463     -6.03790451311949      9.56970022803230
  C   -4.64741969353541     -5.24143799755334     11.23543477470649
  O   -3.83585441672445     -5.93602426225736     11.79946339157300
  C   -5.55527247675831     -4.21956198511278     11.96091686842411
  O   -6.16961566359382     -3.36975857090748     11.39063219820096
  Cl  -5.50632166726988     -4.38255165148050     13.73357487905681
  C   -4.25653046745191     -5.50558053293453      7.38557292810447
  H   -3.60641219799428     -2.24331808331612      5.07358825069713
  H   -3.48993035505860      0.17744334818122      5.65371611050782
  H   -4.39002121945544     -1.19602603527429      0.94869374458828
  H   -8.39921852195468     -7.60794001869000      4.12432025965779
  H   -10.32135549681965     -7.05871199945767      5.61171471238673
  H   -7.80475230555168     -3.41061732219577      3.43090201879145
  H   -1.65509672221679     -3.98793346981016      5.79972622019093
  H   -1.26728332734255     -3.11805093274379      8.11149382571452
  H   -5.09655326694509     -6.17388586358226      7.20664724614142
  N   -6.06802931457160     -3.62846089060157      5.26428959792063
  N   -6.68196770005637     -2.35806987254094      5.08084547420463
  H   -5.98361966102535     -1.63023098019477      4.92297004571999
  H   -7.83653861620811     -0.91882483554471      5.96452293591851
