75
Coordinates from ORCA-job orca
  N   -1.94130289433787      1.15682509484652      6.69969461034464
  Mo  -2.98761810869516      2.28534145329579      5.20052300753046
  N   -4.63749772440635      2.59264754440921      6.47101239073715
  C   -4.46539625107646      3.68760375771288      7.43281990296483
  C   -3.02602316495459      3.70073905625886      7.89495062986173
  N   -2.08621698455690      3.69816279950879      6.71724999048019
  C   -0.74762245096079      3.16500752511265      7.12516828721034
  C   -0.87422059121695      1.68065387192781      7.51759311681693
  C   -1.99260032531471      5.08507379161386      6.12508316483938
  C   -2.32657182287077      5.05533010038286      4.63385185508096
  N   -3.44637435588142      4.13570852510647      4.43589269138351
  H   0.07602225872178      1.15387073399278      7.34058794285492
  H   -1.12509208709301      1.56126102629020      8.58263940436959
  H   -0.08179105678595      3.27345998348080      6.25969107851199
  H   -0.34205747032585      3.76084859696753      7.95739718249672
  H   -2.59084213329350      6.06441529708369      4.28558030407082
  H   -1.46500063624762      4.69231739730911      4.05449098012755
  H   -2.72758421233365      5.71341616022463      6.64333157633710
  H   -0.99330688367273      5.49977491621353      6.31669961809794
  H   -5.13422759515967      3.55180013253729      8.29476634600459
  H   -4.75163897624381      4.64637366527433      6.96642950924428
  H   -2.83436970754973      2.79702856723406      8.48388693171731
  H   -2.80470697136595      4.57572888457097      8.52481356139139
  C   -2.37108240682025     -0.02401904458234      6.35418904133549
  N   -3.37099020094139      0.20531091123945      5.47437225071557
  C   -4.04528052838342     -0.00667963651842      4.32556009222568
  O   -4.23804493704551      1.11789528502220      3.73469940162523
  C   -4.54168218812751     -1.28120278421986      3.83315853344434
  C   -5.20014801116832     -1.33953741021051      2.59243083409878
  C   -5.67410445790203     -2.56216301558272      2.12886739286864
  C   -5.50076962757203     -3.72515264057551      2.88531548315479
  C   -4.84729627160347     -3.65243972576122      4.11951941959374
  Br  -4.61822433534919     -5.22864712156778      5.15497567435259
  C   -4.36699930018843     -2.44258858352573      4.60594978525920
  C   -4.70127485614274      4.63796861389193      4.28888200301855
  N   -4.99197793165620      5.89518300306926      4.38388660529695
  C   -6.29931457429976      6.28161376092771      4.06092685328104
  O   -6.84002483490485      5.98341238216029      2.99890692347816
  C   -6.98710554442784      7.10362333614232      5.10427544759971
  C   -8.27819438019257      7.58775848069636      4.85265329521510
  C   -8.96132126667984      8.29292846695645      5.84048250591508
  C   -8.37858260574835      8.51058459644872      7.09341655810939
  C   -7.09532229771366      8.01796427435041      7.33103930417431
  Br  -6.28564816849012      8.28705218732898      9.04144213263525
  C   -6.38773871931093      7.32949337450188      6.35195309950218
  C   -5.89647444791730      2.13241924100528      6.31400090310202
  N   -6.92454128435968      2.65247297191397      6.92319286044056
  C   -8.14373985501459      1.98514586147762      6.75032157130724
  O   -8.23903503203879      0.77262528367063      6.54088483331082
  C   -9.34641601760458      2.86387460422845      6.87863290150171
  C   -9.23834533598945      4.24230723399765      7.11683101860272
  C   -10.38827927181306      5.02559845572566      7.20629958709829
  C   -11.65256964236910      4.44977016600222      7.06434696210773
  C   -11.74494720136345      3.07570163774079      6.82892884983434
  Br  -13.47030119001543      2.28077460869093      6.63465157723708
  C   -10.61285992305804      2.27640733248898      6.73334426183952
  H   -1.99455889095320     -1.00109645939235      6.68712230256401
  H   -5.33420059407258     -0.42766194178761      2.01119896053439
  H   -6.18958878562827     -2.62034021019686      1.16984954060053
  H   -5.87559815944094     -4.68205278054429      2.52233175428163
  H   -3.88399102199442     -2.39816704796560      5.58165560327860
  H   -5.47645548035553      3.88232936136962      4.09475482211607
  H   -8.73078315672951      7.39324855015693      3.88033164604403
  H   -9.96473226015482      8.67441200861290      5.64571469986583
  H   -8.91444388423226      9.05403795163336      7.87145663926665
  H   -5.38004568090540      6.96520914702232      6.54341094064235
  H   -6.02198581570254      1.29891962021192      5.60808570446173
  H   -8.25201973981887      4.68954828193325      7.23262270436966
  H   -10.30417630332136      6.09764211845992      7.38842939836296
  H   -12.55458388411557      5.05729872635269      7.13621000539871
  H   -10.68370200270646      1.20498318048894      6.54831580160537
  N   -1.57170130315555      2.09876853974663      4.10082693118266
  N   -0.61766330730774      2.01315121347953      3.24523807377809
  H   -0.57878876566279      2.67211965099129      2.46332590139490
  H   -0.06618517190692      1.15503610093767      3.17819352449377
