78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670598-A3sP/orca
  N   -3.13412315852611     -3.48928228640494      3.00679450583509
  C   -2.22378228911267     -4.21983538022890      2.11519475958733
  C   -1.95596591359830     -5.60835277845157      2.66102727319853
  N   -3.15591189987925     -6.04670537886468      3.41971311971633
  C   -4.36148784333630     -6.13048438246269      2.53290279775012
  C   -5.59963480488579     -5.97434995839554      3.38388590421667
  N   -5.44320377848527     -4.82843499993084      4.29628903514949
  Mo  -3.49740979765103     -4.46725445180183      4.98642659253891
  N   -2.71809827207668     -6.20800999189221      6.07808775054801
  C   -2.10342331578766     -7.24341765922978      5.24604681995726
  C   -2.94099995163679     -7.39115975228958      4.01900533246149
  H   -2.07938190056715     -8.20771608549428      5.77607344981013
  H   -1.05892858484057     -6.98141315219502      4.99627672304839
  H   -3.92293008724501     -7.79748320954586      4.29233592097511
  H   -2.48336185867547     -8.05510375114875      3.26933549618406
  H   -6.48230692435349     -5.87826959091928      2.73575155259656
  H   -5.77048454734795     -6.87897497007667      3.99424833420731
  H   -4.30866570947797     -5.32464158913478      1.79665227959254
  H   -4.34304968767664     -7.09194420023713      1.99617321899597
  H   -1.27238191382953     -3.67818220048150      1.97827547026527
  H   -2.67338797124034     -4.31185804802103      1.11466203149106
  H   -1.10222623985372     -5.61953427917084      3.34742810671346
  H   -1.75461704839386     -6.31853623523593      1.84199120217659
  C   -3.70044807868744     -2.38023603063453      2.48663101632308
  C   -3.51925753871576     -1.98559593543698      1.12415565547819
  C   -4.22476135976548     -0.93748703534927      0.56224199522385
  Cl  -3.92529364139162     -0.60583096066722     -1.10298610640825
  C   -5.12399114725720     -0.12199862244312      1.31745605096728
  C   -6.00101024446738      0.92065911808774      0.74719952466837
  O   -6.35749600088531      0.98237286283598     -0.42304964498996
  C   -6.48223688505759      2.08072176998466      1.64286079101208
  O   -5.87391696227608      2.50568923767419      2.60225124210705
  C   -5.18335995440386     -0.39164864632760      2.67525075530424
  C   -4.50921123800023     -1.47497244386925      3.27353375549082
  C   -4.59025032824814     -1.57298464489818      4.67098654324673
  O   -4.14026321215175     -2.51699233410428      5.38211662577928
  C   -6.53153355524389     -3.94451069666053      4.36137741016714
  C   -6.99190596821383     -3.55448364338978      5.63216223108468
  C   -8.01371897535464     -2.62595237864880      5.79328961917256
  Cl  -8.44023346864090     -2.19224717078138      7.41195257485005
  C   -8.63724531619103     -2.02841050689208      4.67306366245789
  C   -9.67978663162846     -0.98178086951030      4.75186299748611
  O   -10.49199443997992     -0.84008495553373      5.65541018660080
  C   -9.69687895309096      0.11581686045379      3.66614947953914
  O   -8.71036346434734      0.48075355718650      3.06006013964907
  C   -8.21076139399427     -2.45286991296242      3.41156895700312
  C   -7.19179229188286     -3.38825262073840      3.22260041180391
  C   -6.74139413199019     -3.57715239724989      1.82673313520882
  O   -7.35894079232219     -3.19114223200995      0.84613979253401
  C   -2.25646938741647     -6.18543659493130      7.35286717981132
  C   -1.16598913393975     -6.99960765636156      7.78003747667294
  C   -0.73206192626803     -7.02233609156820      9.09304157770267
  Cl  0.66624765331457     -7.97451777783649      9.42977526601810
  C   -1.36115709776182     -6.25699041154639     10.12312606310499
  C   -0.99935327776754     -6.33387782322973     11.55323649091681
  O   -0.46095937633393     -7.29250479676906     12.09372176094847
  C   -1.25185039200683     -5.11458980090875     12.46597872360616
  O   -1.44363247489250     -3.98005312511771     12.08406907197386
  C   -2.41508024027299     -5.44808269351086      9.71926995844327
  C   -2.85247029021457     -5.37634213010994      8.38411207762217
  C   -3.96638966059603     -4.57297322757453      8.09344728101050
  O   -4.36656287199087     -4.29767333097380      6.93034030554466
  H   -2.83067512070407     -2.51418873141884      0.47242020800694
  H   -7.39251616862909      2.57249435962837      1.22810707088589
  H   -5.80883725260165      0.22853795635376      3.31644298844820
  H   -5.06393087777058     -0.74603074027413      5.22408059153046
  H   -6.51902399033105     -3.98146433806449      6.51139785629324
  H   -10.68117928329554      0.63515575696556      3.59746075903505
  H   -8.65124266370504     -2.01977521967356      2.51277441403813
  H   -5.74689342249036     -4.05449944493292      1.69635510653488
  H   -0.60512935490668     -7.59913993677800      7.06951369490100
  H   -1.14356846953721     -5.38712153938749     13.54299323274076
  H   -2.94331776682979     -4.84341615456750     10.45589592582918
  H   -4.56245213981650     -4.15865970862403      8.92383433004493
  N   -1.82316417773484     -3.73992866833975      5.28174186140501
  N   -1.04349420737633     -2.77852121408036      4.97433680048026
  H   -1.27804872008134     -2.14579539072786      4.19872989687132
  H   -0.21802243537616     -2.57939356214102      5.54249355080187
