76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670590-Gkkx/orca
  N   -4.03536698648064     -3.40124077647724      3.24537399980066
  C   -3.85392627906408     -4.18173618317375      2.02385972680038
  C   -2.97449910968834     -5.37748027139745      2.30014372414385
  N   -3.47746505161700     -6.11957958413889      3.48572571585039
  C   -4.80033955679451     -6.76279902445568      3.20086004780733
  C   -5.70458884824892     -6.47534987889845      4.39109394444488
  N   -5.73822542883983     -5.03638021860459      4.60975267358597
  Mo  -3.73142277529378     -4.50638249300773      5.14756464219623
  N   -2.47106493466922     -6.03379067444235      5.97929282146415
  C   -1.59416220622469     -6.60946781398917      4.96407312093074
  C   -2.49899594779226     -7.16906500531381      3.90601386892295
  H   -0.99189659677086     -7.43139433375363      5.37532979652406
  H   -0.90689096651442     -5.83803492207575      4.56716288899035
  H   -3.06703648453498     -8.00020960794468      4.34117781979378
  H   -1.95434288952402     -7.54263897569295      3.02652435162615
  H   -6.71053881637732     -6.90028296719739      4.26779806480972
  H   -5.28044433743017     -6.95842844267089      5.28891454243784
  H   -5.21421678229186     -6.33348500714456      2.28369719974799
  H   -4.65676160467644     -7.83724725311226      3.02288622033668
  H   -3.34819381278717     -3.58410707946525      1.25119386733601
  H   -4.83189495601414     -4.47495177031322      1.60553718705009
  H   -1.95039579122046     -5.05085455694745      2.52564652706746
  H   -2.94732717076959     -6.04933978868895      1.42734656310952
  C   -4.33935136009844     -2.10260693142147      3.11099131522966
  C   -4.61075671382665     -1.52861270610773      1.82882272362517
  C   -4.89565255145143     -0.19211707867450      1.65949931124640
  Cl  -5.13808426382915      0.36045303032894      0.04830881127833
  C   -4.95010626781541      0.72263999185593      2.76296788421936
  C   -5.36597050666603      2.13698707834097      2.64677016657031
  O   -6.09919616106829      2.58182226204471      1.77311300590100
  C   -4.83766321709015      3.16711723661925      3.66784441623587
  O   -3.91158745902256      2.99174391000263      4.43000906591121
  C   -4.70107184542424      0.18874577805694      4.01227016345567
  C   -4.43428351151492     -1.18660416808546      4.23629419938115
  C   -4.44150905256256     -1.57449992297085      5.58258385829369
  O   -4.39712923022260     -2.76061606415613      6.04462690372368
  C   -6.72049585289736     -4.24002062020493      4.05762567795315
  C   -7.03627261970598     -3.07129637211805      4.79072449424857
  C   -7.79023699644654     -2.03454116967463      4.27075085337471
  Cl  -8.04191938376063     -0.65987531453239      5.29277501026497
  C   -8.28646317558063     -2.09478532798435      2.94554051289031
  C   -9.01698260469386     -1.00086235916603      2.27601768923346
  O   -9.59222558391022     -0.07267690138160      2.83242194667501
  C   -8.98810439821857     -0.91884108314168      0.73668124411421
  O   -8.09368594047335     -1.35486352231029      0.04307388083814
  C   -8.09040765516717     -3.30511716568468      2.27193629036522
  C   -7.39725474548411     -4.40401261571584      2.79719400218506
  C   -7.46616441620044     -5.62338511629369      1.95759000042479
  O   -7.66475511685253     -5.60494608151651      0.74999217952589
  C   -1.97467441268134     -5.97392767429644      7.24352782772421
  C   -0.63330340470570     -6.32579974851556      7.55105839372914
  C   -0.16593962664159     -6.35893846335144      8.85473782265352
  Cl  1.50853133705842     -6.69816613614050      9.06760676765712
  C   -1.00181443437754     -6.06697292203216      9.97589640621626
  C   -0.56946410349568     -6.20612185875514     11.38462562281972
  O   0.30662450092101     -6.96752266170161     11.77265687145878
  C   -1.21053774066642     -5.31248771235920     12.46833833490133
  O   -1.88111470041360     -4.32528778198219     12.25770594428754
  C   -2.30477873651926     -5.68508418666146      9.68466882142772
  C   -2.79314349286142     -5.60228958375747      8.36781484057694
  C   -4.13298589349160     -5.22474246821791      8.16930018073296
  O   -4.64138826008051     -4.94186832898195      7.04900310098175
  H   -4.63046794014777     -2.15004609514469      0.93903966247229
  H   -5.37241335765991      4.14178036793528      3.56805690641021
  H   -4.76884890182404      0.83215495707303      4.88813819303424
  H   -4.58670084031979     -0.78936291079156      6.33958963582490
  H   -6.66818179548785     -2.99800148391166      5.80930117016254
  H   -9.81966803289352     -0.29159542723824      0.33659388121052
  H   -8.51932112282184     -3.44238292303849      1.27926513837527
  H   -7.39742977037661     -6.60255498769055      2.47926262855923
  H   0.08337593180282     -6.53275374687719      6.76140234841706
  H   -0.91524378776278     -5.64624738835290     13.49154975823870
  H   -2.98881872754101     -5.43903954017838     10.49610270759277
  H   -4.81448137424116     -5.17853315942095      9.03479174542895
  N   -2.22841843373539     -3.59662156722258      4.96461665072667
  H   -1.85315891542681     -2.72400170559007      4.57386571643698
