74
Coordinates from ORCA-job orca
  N   -1.86188606235562      1.09516662946624      6.68324371494960
  Mo  -3.00360838527047      2.23857039403026      5.31908933368786
  N   -4.62859923111697      2.55135886467872      6.63122698369767
  C   -4.42099406192067      3.65135600747667      7.57874307216539
  C   -2.97159719048754      3.64135753165402      8.01414252694489
  N   -2.06262310707568      3.64730006271452      6.81656345415663
  C   -0.71095888582742      3.11093984945464      7.17999221638673
  C   -0.81257261762837      1.61676589583341      7.52684631586352
  C   -1.97758366118928      5.04039535136683      6.23584634743747
  C   -2.26715974941024      5.01787966909600      4.73630964133926
  N   -3.38525534445518      4.10475351785726      4.50895959263312
  H   0.14920862926014      1.11463351243878      7.34054109236487
  H   -1.06906231002474      1.45808742240956      8.58561129214148
  H   -0.06592195309745      3.25307969950358      6.30350165719683
  H   -0.29099374865742      3.68665283943359      8.01923926516540
  H   -2.51209760779977      6.02977931083668      4.38282732700664
  H   -1.39379883502929      4.64985694410416      4.17750428807127
  H   -2.73892820482461      5.65175303492808      6.73588398643906
  H   -0.99286872335174      5.47268173901515      6.46191894564798
  H   -5.08187447023468      3.53935503740263      8.45048296417078
  H   -4.69375677696540      4.60980033522933      7.10411009313489
  H   -2.77765930060917      2.72573550379093      8.58472799115531
  H   -2.73109065511428      4.50460584591939      8.65340726135159
  C   -2.33128989283370     -0.09177662100939      6.39000029923904
  N   -3.35429489621532      0.15526596280041      5.53995601058111
  C   -4.07482085706249     -0.00565836003901      4.41367224943036
  O   -4.31750128235067      1.15116577413456      3.89706821045903
  C   -4.55573629642053     -1.25850411628896      3.85894005129270
  C   -5.23153193875491     -1.26292913963825      2.62594293565926
  C   -5.68577743957879     -2.46862088214880      2.10247801456003
  C   -5.47653205002113     -3.66704814429398      2.79176922698058
  C   -4.80592149576403     -3.64775612196871      4.01894823625002
  Br  -4.52860179122639     -5.27295420680093      4.96289343500765
  C   -4.34279672923411     -2.45650277531252      4.56359902258192
  C   -4.62147902470895      4.60014946287624      4.25982020390683
  N   -4.91250395061968      5.86331568071479      4.29410267971337
  C   -6.20002739500845      6.25608941426958      3.91473325023158
  O   -6.67230659046477      5.97456872686415      2.81545096183851
  C   -6.94528640992474      7.06139467896247      4.92726262884130
  C   -8.18917800027210      7.61313025867566      4.59119865008746
  C   -8.92170278772101      8.30772796604209      5.55076988186113
  C   -8.43867855544136      8.44268862288893      6.85676231050932
  C   -7.20445325428639      7.87728889203834      7.17917848769316
  Br  -6.53991509852178      8.01902288260150      8.96433379124840
  C   -6.44550257099730      7.20266360441783      6.22942969817249
  C   -5.88182600753107      2.07172070402267      6.53207109978275
  N   -6.89287314399826      2.60312518975227      7.16574495067367
  C   -8.12529749849738      1.95430526094839      7.04445189600674
  O   -8.22232613405889      0.72595644675457      6.97084742461511
  C   -9.31085916089914      2.85624449335277      7.05572599963569
  C   -9.17738480149207      4.24752220798126      7.18202261091821
  C   -10.31066891838677      5.05869990816923      7.15023211347279
  C   -11.58035973656594      4.49789893230345      6.99762694577776
  C   -11.69783685892071      3.11032494662763      6.87654188318410
  Br  -13.42995336422507      2.34010912103106      6.66756963874870
  C   -10.58247464410107      2.28238543904475      6.90356039151940
  H   -1.98022936303958     -1.06591143610138      6.75227924169147
  H   -5.38896333872493     -0.32438299960895      2.09526461852121
  H   -6.21127234914908     -2.48617076863442      1.14731471811636
  H   -5.83497374415700     -4.61093076399010      2.38124224149870
  H   -3.84147538182159     -2.45439638219410      5.53103699295648
  H   -5.38867728155872      3.83930847862600      4.05205457341100
  H   -8.56530618838696      7.48406133012655      3.57623635778461
  H   -9.88627035229848      8.74635824005857      5.29129756766464
  H   -9.01464283338834      8.97733119231611      7.61199922343265
  H   -5.47421497865627      6.78309455874858      6.48623479322337
  H   -6.02598794740078      1.22668118355384      5.84510534095138
  H   -8.18683413072034      4.68287622418545      7.30976197094485
  H   -10.20958940203618      6.14024719743939      7.24615563329003
  H   -12.46937989988203      5.12795493653242      6.97419454732146
  H   -10.67252835932349      1.20078222237049      6.80707462595406
  N   -1.57508842753497      2.00398653609934      4.14925108003115
  N   -0.74922174691461      1.66881717894942      3.33565737525926
  H   0.07413955428600      2.29201786310723      3.21602354435697
