80
Coordinates from ORCA-job /scratch/magstr/orcajob__5661771-URJC/orca
  N   -2.98397576311690     -3.37494424778233      2.37967606426126
  C   -2.46030114618621     -4.18089049494833      1.28034019953023
  C   -2.18463719315123     -5.59249486829016      1.77401103906153
  N   -3.34470957204416     -6.08721996887726      2.55291953197865
  C   -4.46578489185869     -6.52415726474013      1.68493309881460
  C   -5.77275837548684     -6.37317980171655      2.44691055871914
  N   -5.80156769006669     -5.05480262518656      3.06903203300395
  Mo  -4.06652291718822     -4.35058196649716      3.74933767058149
  N   -3.15609371649786     -5.38580940869017      5.19607364842900
  C   -2.30939360539555     -6.48643284078085      4.73948619765917
  C   -2.95917905925130     -7.13400602781882      3.52846145533887
  H   -2.18693064567538     -7.26372286938062      5.51318020555264
  H   -1.28918248446621     -6.14285023879621      4.48452790203617
  H   -3.87994899659413     -7.64117059548257      3.84700865361491
  H   -2.29792512900412     -7.88192681239020      3.05426857538457
  H   -6.61205413757250     -6.49250043130691      1.73586131813224
  H   -5.88198824728524     -7.19160231236471      3.18832901378865
  H   -4.48415190876649     -5.85832964158347      0.81109330314560
  H   -4.30538775167412     -7.55874424397877      1.33075756535464
  H   -1.50824833350784     -3.76994757696084      0.89635863138379
  H   -3.16138158055377     -4.19766216981001      0.41788870344055
  H   -1.32363674405043     -5.55639299909942      2.45492928577572
  H   -1.95018240110831     -6.28341468418837      0.94341233892872
  C   -5.22127267589485      0.83902432439236      1.81586347588827
  C   -3.86308938459054      0.15513725107789      1.76563231424451
  N   -3.92257769971099     -1.16102631070449      2.39755021976215
  C   -2.68793576509621     -1.95193778789122      2.28386747840686
  C   -1.67392633016589     -1.47725516388515      3.33948190722818
  C   -0.26231879046851     -1.99168662662712      3.16421661982261
  F   -0.14956527307012     -3.36633361136194      3.49292409446669
  C   -8.28089629938501     -0.96446953437034      3.66752631576361
  C   -8.40773264281141     -2.48126307356284      3.71773884330086
  N   -7.12602898287024     -3.10781775179037      3.42079084064244
  C   -7.14974218389595     -4.56172416599848      3.33667393557894
  C   -7.78898195589643     -5.29689557225559      4.54690306178120
  C   -7.09510253723424     -5.00420486535814      5.85713465028217
  F   -7.60662646186364     -5.85598434156946      6.87056936730477
  C   0.15632201759142     -4.61504179421453      8.23876743721483
  C   -0.41737424788736     -4.64641096525438      6.82313257422198
  N   -1.75960506427427     -4.03819270446618      6.74849188606858
  C   -2.93584418699235     -4.89675273319016      6.56800024424246
  C   -2.96051194053417     -6.00748260546175      7.63060610247150
  C   -4.24941492909447     -6.80250936136250      7.59253618177185
  F   -4.19804572890984     -7.83391742780877      8.55832805551040
  H   -5.17596355173978      1.83412049753912      1.34988615146436
  H   -5.56182142936626      0.95022326329951      2.85436779420330
  H   -5.97796222232389      0.24723433827869      1.27796909233460
  H   -3.12231650403379      0.77252243071491      2.29928851229635
  H   -3.50898392751064      0.09197291573452      0.71215171398443
  H   -4.68097859644260     -1.71275905669874      1.98295402839497
  H   -2.22532664795465     -1.77566884893177      1.28337132032447
  H   -2.06057256487486     -1.73965087341321      4.33668673110933
  H   -1.60664329115961     -0.37617319006315      3.29963963520714
  H   0.08185058426162     -1.88745098565952      2.12198378151983
  H   0.43601159702662     -1.45794468907125      3.82626956168817
  H   -7.96703647957218     -0.63165426435955      2.66773813974804
  H   -7.52803345908116     -0.61667801785410      4.39089296698392
  H   -9.23722709388803     -0.48106634522088      3.91656277197705
  H   -9.14392050962180     -2.82124922598399      2.96787953206664
  H   -8.82169790870474     -2.77247778126925      4.70861174901248
  H   -6.40247046490738     -2.82390743681222      4.10655279118940
  H   -7.78303395110386     -4.82041214968448      2.46089067496753
  H   -8.85461250206254     -5.02679091004998      4.62206339482355
  H   -7.74963418563046     -6.38306160709561      4.36107454689589
  H   -6.01389575522735     -5.19506164733475      5.79630547847803
  H   -7.25858558239057     -3.96881144025379      6.19578632841977
  H   0.21508793171789     -3.57950058638138      8.60529788631952
  H   1.16470840464475     -5.05680908912228      8.26406436533607
  H   -0.47986243327550     -5.17894289436558      8.93466084080023
  H   0.24294240663227     -4.07957947071040      6.14858376168364
  H   -0.40776711336078     -5.68467042673357      6.45008413658461
  H   -1.77316125686954     -3.35085319138679      5.99404609603644
  H   -3.80259778773839     -4.24999672120763      6.77455978576931
  H   -2.10875771052957     -6.69559417757177      7.51675110895342
  H   -2.85780913508403     -5.53197735665846      8.61704878998249
  H   -5.12146497510048     -6.17601974272018      7.83632633126066
  H   -4.41997998897592     -7.27715753360589      6.61305182195155
  N   -4.54837830427546     -2.68855144521898      4.86404113305452
  H   -4.43205202110597     -1.76795450614442      4.42626732120773
  H   -4.52417721681293     -2.60392692164845      5.88096332407834
