76
Coordinates from ORCA-job /scratch/magstr/orcajob__5668064-zHf5/orca
  N   -2.76141560409785     -3.74188620582471      2.54735042586146
  C   -2.38483629102705     -4.63304751173906      1.43762040573825
  C   -2.27616364442801     -6.05295309928253      1.96259351646742
  N   -3.43136800104622     -6.33499485297899      2.85344991993066
  C   -4.65104028983875     -6.70313620409290      2.08712863956766
  C   -5.86829300719493     -6.43109391526252      2.94393710521652
  N   -5.70883948361682     -5.10866350747682      3.57135686263566
  Mo  -3.94378773457538     -4.35660561146403      3.99608330311428
  N   -2.91830746443096     -5.38673421922475      5.32349394328405
  C   -2.29894519124935     -6.67808786527273      4.98479916102466
  C   -3.10286032536213     -7.34484018173757      3.89079985222772
  H   -2.26134741853279     -7.33228680516454      5.86727596077433
  H   -1.25276354236738     -6.49704814850364      4.67822508118627
  H   -4.04420832227743     -7.71126161295280      4.31859886053595
  H   -2.56186446646923     -8.19738775862243      3.44897254062378
  H   -6.77428813024792     -6.44814238601454      2.32273387283626
  H   -6.00172993003562     -7.19015354651764      3.73489413230161
  H   -4.69036127288835     -6.06530852866073      1.19382987096748
  H   -4.60404415083728     -7.75575850672746      1.76347092679246
  H   -1.42113475403704     -4.31611624286991      1.01134510600579
  H   -3.13557717018793     -4.54748901881177      0.63295275151276
  H   -1.36194597075489     -6.14380393453386      2.56370228572568
  H   -2.22597943007347     -6.78938354843817      1.14402204792354
  C   -2.16382644525867     -2.45627757025547      2.56178026802556
  C   -0.79859955512990     -2.38029360337336      2.85447648916858
  C   -0.14596515800760     -1.14768039740026      2.94545180750443
  C   1.29553834029739     -1.06261087350292      3.30203758199208
  O   1.97548567095101     -0.06542588497814      3.17117054354531
  C   1.91828968303979     -2.31180708521919      3.97744977532546
  O   1.40168583169933     -2.90251475021030      4.88446787319261
  Cl  3.52070506944936     -2.70911153534445      3.34979401901926
  C   -0.85302086349718      0.03911506802171      2.69810715294165
  C   -2.20229534760339     -0.02271984550562      2.38617001691517
  C   -2.87884866066607     -1.25619458324895      2.32203183031869
  C   -4.32404338957606     -1.28472321303750      2.02136817838081
  O   -5.10410074937265     -2.18851377700447      2.15256052603448
  F   -4.77047830973015     -0.08726786253180      1.54002944798683
  C   -6.90036463551081     -4.53240465307426      4.09865769741785
  C   -7.12193612175940     -4.65857926498176      5.47381678388635
  C   -8.22616023730396     -4.06227325795381      6.08861989103447
  C   -8.44584446533029     -4.17707132117906      7.55206147968537
  O   -9.43001004484132     -3.76893885484895      8.13848183631706
  C   -7.29326623516566     -4.76922731328261      8.39189130215833
  O   -6.19517397470325     -4.29034978484211      8.44486661096400
  Cl  -7.79198359541654     -6.16631492923428      9.35678275575409
  C   -9.15070445623377     -3.34131791324814      5.31614452286639
  C   -8.94296206206991     -3.21371928562204      3.95268524724209
  C   -7.82989944977915     -3.80171565743174      3.31959341942045
  C   -7.72277318807695     -3.53110434156934      1.86345652798072
  O   -8.32368118274960     -2.70733345494103      1.24296880184764
  F   -6.86258729285922     -4.37881914686080      1.20578026266043
  C   -2.60042955927996     -4.88700289817126      6.61201567327664
  C   -1.79346136458430     -3.74975272342914      6.70198928577923
  C   -1.47301103426735     -3.18895782446764      7.94197969014188
  C   -0.66732941276736     -1.94160443369618      8.04730632023556
  O   -0.05550776361445     -1.60928671353542      9.04025282062857
  C   -0.75093732440599     -0.96420424158894      6.83701396957578
  O   -1.72000359867969     -0.84418673399009      6.14129475697629
  Cl  0.68367855040743      0.05418514447145      6.66938340698953
  C   -1.91185585552805     -3.80496331437644      9.12404955227253
  C   -2.71085137105269     -4.93615886289687      9.04960047723031
  C   -3.08409468540063     -5.48089973992706      7.80677954744229
  C   -4.06450429811999     -6.58509806051636      7.76118684253368
  O   -4.67469169320172     -7.01158551768891      6.81837652031058
  F   -4.27341620418888     -7.13698949885979      8.99374609468590
  H   -0.26363072025553     -3.31009166625125      3.04758115097562
  H   -0.33561769938773      0.99537493293705      2.77140219390217
  H   -2.75894454249133      0.89447627914869      2.20121439725549
  H   -6.39371328643225     -5.22778460569611      6.05170582906774
  H   -10.01184241154546     -2.88115100687467      5.80074566020612
  H   -9.63674126138418     -2.64021213505824      3.33796347052941
  H   -1.41506973454905     -3.31279577486394      5.77917834768306
  H   -1.64379258639192     -3.37049463009444     10.08697545595245
  H   -3.09448779158405     -5.39109324201412      9.96101166979913
  N   -4.22906416595189     -2.97432843430579      4.99513180758362
  H   -4.29926376455994     -2.21352799341828      5.68005683712408
