76
Coordinates from ORCA-job /scratch/magstr/orcajob__5668061-uKa7/orca
  N   -2.82064840650718     -3.72439465558144      2.56401834950379
  C   -2.35013541141529     -4.62068260724632      1.49819040930082
  C   -2.19622942011509     -6.03015080903622      2.04652976267179
  N   -3.35983710931937     -6.36222737608615      2.91660805578476
  C   -4.55045297106747     -6.77421475411092      2.11770025596983
  C   -5.80664715956130     -6.55412313355158      2.94170952941989
  N   -5.68645105550201     -5.24326325101318      3.58157613071153
  Mo  -3.90938022091114     -4.51282600958650      4.03010932853615
  N   -2.83574516331308     -5.46336356905132      5.38895264243070
  C   -2.22909726912668     -6.76017997215357      5.06437284010984
  C   -3.01442393448993     -7.39636824033145      3.93390928578834
  H   -2.23319828378307     -7.43848318484931      5.93004012832321
  H   -1.16979708696827     -6.60508616045906      4.78671876103283
  H   -3.95681587571049     -7.78700914161817      4.33702030771299
  H   -2.45872450048451     -8.22539563403917      3.46406043092511
  H   -6.68683500071817     -6.59815550934375      2.28403814965457
  H   -5.93626236224525     -7.33892333970083      3.70976155872791
  H   -4.58940685275925     -6.12974982276604      1.22969219872476
  H   -4.44523094429037     -7.82234981263194      1.79108726059649
  H   -1.38514694042438     -4.28195735896015      1.08865343211983
  H   -3.07232977713948     -4.59398590365735      0.66185591145358
  H   -1.29612618422952     -6.07822656794941      2.67472275672091
  H   -2.09522030565177     -6.77571842206850      1.23957170149335
  C   -2.26304392699916     -2.44386413274852      2.63413756873634
  C   -0.86554522512846     -2.32802341240836      2.77911541556305
  C   -0.24266685457080     -1.09228397763551      2.94258495835715
  C   1.22345986800883     -1.00156941208897      3.09038297580855
  O   1.86121398604886      0.03136383687155      3.20133417827240
  C   2.01369484729039     -2.32489193009312      3.15818082332776
  O   1.98209917544747     -3.10955533627611      4.05780408186586
  Cl  3.11653361150780     -2.50963143997162      1.75247035362090
  C   -1.00834934469280      0.09081253411223      2.96169912993618
  C   -2.37674747075623      0.00592101789285      2.79431819527249
  C   -3.02523873932469     -1.23516934360135      2.60809063769460
  C   -4.46565955764382     -1.26621163519184      2.33203840413004
  O   -5.19404511774381     -2.21039482242649      2.17628961937354
  F   -5.00172794251445      0.00132709016216      2.21872018467466
  C   -6.83889792390038     -4.57985554027126      4.04280829920562
  C   -7.03889640410797     -4.55212796828052      5.43342951104497
  C   -8.06401084740772     -3.80465590271290      6.01648917120451
  C   -8.23386414000078     -3.77360222438202      7.48144846514482
  O   -9.12503161943546     -3.19479473400332      8.08076093088346
  C   -7.15938364062931     -4.48172247790161      8.32967523924067
  O   -6.06067244730711     -4.06360771627421      8.54013878697389
  Cl  -7.79100337871580     -5.97863858604845      9.08763115144373
  C   -8.95352145310885     -3.08118635087846      5.20065141875906
  C   -8.78897626936200     -3.11781445750359      3.82865965749337
  C   -7.74873084116013     -3.85654774495148      3.22343794554603
  C   -7.68603592437413     -3.73356500087224      1.74981638997564
  O   -8.36804794319596     -3.03526189704439      1.05598019444671
  F   -6.75088003251974     -4.54625867246743      1.15503694479215
  C   -2.65716495356265     -4.95693398326312      6.68115142547577
  C   -1.98010747803832     -3.73741586029508      6.83711487127094
  C   -1.73366729242560     -3.19404533210337      8.09893693681533
  C   -1.01156825342631     -1.91340964643541      8.25120513874401
  O   -0.68651283230353     -1.41542119356189      9.31589897548833
  C   -0.72031005935878     -1.09970307474061      6.97528286214525
  O   -1.54916760298628     -0.59152134322445      6.28240426123113
  Cl  1.03655670733851     -0.87128846274442      6.71445518531436
  C   -2.13523714747205     -3.88760712174648      9.25636858489634
  C   -2.83156844229729     -5.07251829468191      9.12581609771300
  C   -3.13762013153082     -5.60988685132094      7.85865030289249
  C   -4.05879364074527     -6.74759234621441      7.76109514760609
  O   -4.63491357012043     -7.18788691140347      6.80108364700056
  F   -4.29776858224406     -7.32800268452667      8.99051722856708
  H   -0.27872492878376     -3.24706659595947      2.80627811850460
  H   -0.51196390579108      1.04868633458230      3.11070680988176
  H   -2.97917737359584      0.91231219170832      2.79895234914281
  H   -6.33983593525812     -5.12547543423535      6.04433015624007
  H   -9.74959753779285     -2.49585352279473      5.66029265590903
  H   -9.45392660784817     -2.55146291864278      3.17673006837823
  H   -1.62466980074097     -3.23792438673518      5.93441033070674
  H   -1.91488703838259     -3.46640761413352     10.23648318352775
  H   -3.19416849899550     -5.58339062049483     10.01571305642984
  N   -4.38326423850404     -2.84016736025720      5.00894470785132
  N   -4.65820606310390     -1.85613149398691      5.50499507776475
