72
Coordinates from ORCA-job orca
  N   -1.58639438717796      1.09499002772765      5.33905144172231
  Mo  -3.16900511325650      2.41926996426108      4.82373337139335
  N   -4.92713011960247      2.05806126918691      5.87563218195293
  C   -4.61366375320815      2.47915832610001      7.25292668327460
  C   -3.12672272237622      2.33727211446745      7.62544900885660
  N   -2.19158169307993      3.14435168542747      6.75976179676753
  C   -0.76819712994859      2.71743882088953      6.87942779832344
  C   -0.58320555873505      1.28664765285307      6.36646546636402
  C   -2.33308051963120      4.61896238483362      7.02517091878818
  C   -2.77033706821232      5.28630244727196      5.73713515828734
  N   -3.81068838744244      4.44442992433993      5.17111591497331
  H   0.43724159484184      1.17318510649742      5.96665317912775
  H   -0.70936553336519      0.54727939562680      7.17312932741519
  H   -0.19249144550038      3.41540417626260      6.25680018697362
  H   -0.42596648980794      2.82032543075861      7.92208911643519
  H   -3.15831704323594      6.30145812520644      5.90874555694492
  H   -1.92073553276533      5.35078986102013      5.03367744946015
  H   -3.09665523185423      4.76038807035271      7.80072230699334
  H   -1.38027085476400      5.01195839483422      7.40559606616204
  H   -5.17728735875789      1.84813512574885      7.95814970713804
  H   -4.95995533353356      3.51331944192181      7.41418281127871
  H   -2.82683617498519      1.28361259353599      7.55351692754850
  H   -2.99540806139477      2.65228714842211      8.67311041020922
  C   -2.14729458771239     -0.03957230371381      4.95984920315293
  N   -3.30838432337660      0.22508957066528      4.36623426787747
  C   -4.18173634655765     -0.64351576592062      3.73083901222298
  O   -5.09978982510554     -0.21288879244936      3.04369805928018
  C   -3.97604343135033     -2.11767189050590      3.92640096035345
  C   -4.05764614790807     -2.96043316926276      2.80989400951979
  C   -3.91403561938376     -4.33717553103589      2.96687855764216
  C   -3.71249109943580     -4.89314017918403      4.23381368526184
  C   -3.65738026282819     -4.04394000576187      5.33763444061512
  Br  -3.41180567187264     -4.78403449242416      7.08109509151950
  C   -3.77954637377898     -2.66255048082366      5.20327827655411
  C   -5.01595493023681      4.93259375524282      4.90687916261198
  N   -5.44550641759075      6.12325406243757      5.27750681206734
  C   -6.69059361932475      6.46402765619312      4.77071201069356
  O   -7.18288851588556      6.01814493176071      3.72608748175620
  C   -7.45712406462430      7.45485161693832      5.60185596342247
  C   -8.69630574799823      7.91468725494591      5.13771610383926
  C   -9.45680145755836      8.78740127197218      5.91225280687602
  C   -9.00055458341867      9.20723944403957      7.16523710615307
  C   -7.76718417173831      8.73704330991986      7.61475821247958
  Br  -7.14184681114051      9.27535716307604      9.34601566393485
  C   -6.98506181656026      7.87607286572147      6.85324050745449
  C   -6.23000828784427      2.10081455261586      5.52655596442041
  N   -7.14990435425012      2.51573234408237      6.35169970359914
  C   -8.46799530567481      2.50532401987098      5.89436326792797
  O   -8.94758132502480      1.65218639333832      5.14638939619028
  C   -9.28321293104071      3.65276084553247      6.41474737807896
  C   -8.82944822700773      4.47533939892877      7.45603099133288
  C   -9.60988176813209      5.54269598520454      7.89665151575718
  C   -10.83818970154817      5.81685422392570      7.29324876971975
  C   -11.27148087592675      4.99627768575457      6.25037208677137
  Br  -12.93826495415854      5.39140898599145      5.39763463856757
  C   -10.52106230293319      3.91407538895715      5.80873862266142
  H   -1.71498230168497     -1.03755711375842      5.12361704514075
  H   -4.23815455927727     -2.52383900219747      1.82731375172901
  H   -3.96616752907327     -4.99404916867894      2.09741311526774
  H   -3.60975278761865     -5.97044384287224      4.36093723355272
  H   -3.76432029374646     -2.02350370561101      6.08618186773666
  H   -5.69377372984266      4.25771650984719      4.36556645412503
  H   -9.05114806056538      7.56212771194753      4.16920498547213
  H   -10.42387842972307      9.14028611163709      5.55001674703329
  H   -9.59410374176873      9.88233087241688      7.78147888507520
  H   -6.02324076463584      7.51383702856807      7.21198460116695
  H   -6.45075658445944      1.80786926752126      4.48911606082015
  H   -7.86213501483291      4.26588906331407      7.90975424135624
  H   -9.25551787731557      6.18551761553825      8.70371986127998
  H   -11.44344245490672      6.66217343256297      7.61886651910646
  H   -10.86124381570387      3.27219538222040      4.99661463607456
  N   -2.88121727812263      2.78442223396429      3.23967147835601
