111
Coordinates from ORCA-job /scratch/magstr/orcajob__5668092-IIUk/orca
  N   -2.87032520135521     -3.48846777467526      2.39398713236562
  C   -2.36187946678856     -4.35134549723174      1.31520765795713
  C   -2.28602210580260     -5.81974486060211      1.71123575022074
  N   -3.54767816822830     -6.24522316703586      2.31362730265528
  C   -4.68272886309205     -6.28538911778174      1.39848150426035
  C   -5.97606085941130     -6.02634387962804      2.14987335987370
  N   -5.88631746518130     -4.87862387758083      3.06353524101458
  Mo  -4.03809678504689     -4.38674190813448      3.77479331016204
  N   -2.97534024507475     -5.65769285611993      4.93221248036040
  C   -2.68067377972481     -7.01322195190653      4.47023635491485
  C   -3.46549828476931     -7.38412278698860      3.22014252178206
  H   -2.94319878626641     -7.76019826920213      5.24035820655042
  H   -1.59760501870540     -7.14249758777097      4.28223964303535
  H   -4.49482651078414     -7.64674212565729      3.50489582582352
  H   -3.01610150684039     -8.27490684787093      2.73631875821968
  H   -6.74401783932861     -5.86664484393646      1.37825184213292
  H   -6.28944480700735     -6.93851585087452      2.69576778894637
  H   -4.54104340962992     -5.49003898884702      0.65356290867406
  H   -4.74334680646684     -7.24754017897500      0.85063622113972
  H   -1.34002967532929     -4.06177739390717      1.02482622574945
  H   -2.97379451227651     -4.24312665952603      0.39961581312070
  H   -1.49404266176451     -5.95139736539102      2.46216990505563
  H   -2.01626984782118     -6.43296577697259      0.82732645767637
  C   -2.57908729084405     -2.04065074700897      2.13777620144207
  C   -1.07103283017472     -1.82816372880250      1.83374387907651
  C   -0.10657066580507     -2.46045394370789      2.83510762006642
  C   1.35148811169085     -2.24269015868215      2.43653963259417
  C   2.35630651383446     -2.94345563933036      3.32897110604617
  Cl  2.25939141745209     -4.75119305691040      3.16476279763507
  C   -2.97092843136859     -1.17078229071303      3.34366344955177
  C   -2.90388416231905      0.33542823619772      3.07772349653020
  C   -3.78057576313110      0.72085401294451      1.88503468481340
  C   -3.39004483916896     -0.08217368867945      0.64403314311928
  C   -3.42551311699014     -1.58901456011724      0.91740223178285
  C   -7.24519284223708     -4.46227820685519      3.55272263256701
  C   -7.77600239556411     -5.49492491803720      4.58312712178489
  C   -6.88333197871796     -5.71909253680776      5.79807673606743
  C   -7.35721561522837     -6.83168603182746      6.74094082287960
  C   -8.57829545666026     -6.41784569441370      7.53956896272657
  Cl  -9.07134311566327     -7.70306272445206      8.71947398158052
  C   -7.23521385509666     -3.05435251897260      4.17902897118552
  C   -6.91698095659265     -1.94613364768081      3.17241788185451
  C   -7.86950739016981     -1.94952456288044      1.97694746373922
  C   -7.93191168886797     -3.34222808442027      1.34411629953623
  C   -8.28867303653568     -4.38421552216010      2.40328555201953
  C   -2.43851510956789     -5.32915486654795      6.30872054814221
  C   -3.63160485054246     -5.46356576804672      7.28124541744743
  C   -3.42820129672508     -5.05116694985535      8.73827389705850
  C   -4.71501763232304     -5.22066095408527      9.54632595672356
  C   -4.59983902186116     -4.82294619854445     11.00453956815027
  Cl  -3.46032126424830     -5.90144877407650     11.92173102652771
  C   -1.29193171567493     -6.27877459869717      6.74190593933878
  C   0.04777624548806     -5.88870323244951      6.11560416402001
  C   0.55090366553294     -4.56483911465409      6.72218984813930
  C   -0.62774800211477     -3.69414099592376      7.19489916291527
  C   -1.85566276628670     -3.88050928801752      6.30079862796183
  H   -0.84032312475474     -2.20282929176541      0.82266506997867
  H   -0.87860840323017     -0.74660009795002      1.78308892347933
  H   -0.30519632259695     -3.54021567995591      2.91481248064134
  H   -0.27614105727715     -2.04815582582000      3.84299464980430
  H   1.51176715615816     -2.56483131773061      1.39425110753271
  H   1.59111385613482     -1.16422228165007      2.46947839620049
  H   2.18280887400171     -2.73208370332657      4.39210842550171
  H   3.38902292126541     -2.68350145814212      3.06987638190478
  H   -4.00218089682897     -1.41514119521263      3.62602201697283
  H   -2.35760000990090     -1.44522561358588      4.21422112908989
  H   -1.86648091160442      0.66555393844275      2.89639333425137
  H   -3.23873679431220      0.86662513515649      3.98264170477859
  H   -3.71137378395731      1.80144591320609      1.68279716348014
  H   -4.83560277148318      0.50687621911795      2.13400437952917
  H   -2.38237446228048      0.21908840516092      0.30973648166242
  H   -4.07176607272777      0.14763586271592     -0.19070382143464
  H   -3.09434464237814     -2.13203327910756      0.01858542651045
  H   -4.46694222640107     -1.89852967511464      1.11049630717713
  H   -8.77988149054522     -5.15948752169932      4.89253430943237
  H   -7.92713455339815     -6.46226326876908      4.07217126757495
  H   -6.77620787984646     -4.78396873106323      6.37209389160897
  H   -5.86970822613050     -5.96762017934918      5.45016802547428
  H   -6.54802128215483     -7.08236253376093      7.44424333829564
  H   -7.58146664106533     -7.74620729954909      6.16791166668950
  H   -9.45657221763255     -6.23947544826090      6.90827573001982
  H   -8.37668977210316     -5.52008441772288      8.13835172750160
  H   -6.52561448194761     -3.00508967672024      5.01250916982254
  H   -8.24517632594785     -2.89167937291331      4.59421973155509
  H   -6.93055393545480     -0.96854195314398      3.68043529945039
  H   -5.88846893158637     -2.08670178181487      2.80785125382955
  H   -7.55778136107932     -1.19671051359128      1.23477827816859
  H   -8.88403403502357     -1.66596038977210      2.31047636634844
  H   -6.95230188926818     -3.58723184002241      0.89820288421354
  H   -8.67168807726897     -3.36420390757129      0.52816643321795
  H   -8.46944005502896     -5.37258210864902      1.95661306838259
  H   -9.24484082087206     -4.09927514019440      2.87377537458267
  H   -4.44189154465083     -4.85110794995702      6.86050094076734
  H   -3.97629250344964     -6.51382706012968      7.24980636436072
  H   -2.63106621804564     -5.64117672833029      9.21649505553079
  H   -3.11573828441365     -3.99489466203272      8.79005021036151
  H   -5.07454179273379     -6.26076364836658      9.48099075449070
  H   -5.50995925539178     -4.58885847320021      9.10892739555143
  H   -4.20384796350220     -3.80611745246190     11.12277859463528
  H   -5.56020991042882     -4.90119323264625     11.52714964313717
  H   -1.54343204531850     -7.32873568387484      6.55129896072158
  H   -1.19864351798528     -6.20349135103476      7.83625398532747
  H   -0.07595489426232     -5.77181741678218      5.02685923108248
  H   0.79250300500876     -6.68627682186704      6.25587810490395
  H   1.22412539122412     -4.76852949406926      7.56985044006989
  H   1.14847115510400     -4.02391974425121      5.97252765156952
  H   -0.33884848632843     -2.63135368645057      7.19779853200185
  H   -0.88154604271209     -3.93951358123081      8.23748102047152
  H   -2.64655617360195     -3.16669861817755      6.56476717077315
  H   -1.57258905853566     -3.64094744200375      5.26456544628269
  N   -4.39225146827137     -3.20889560217206      4.91174208801616
