117
Coordinates from ORCA-job Grubbs_mecp
  Ru  -1.11411699112151      0.56844098720228      5.88509109698662
  Cl  0.51678458558127      1.98422654412887      6.62015682154393
  Cl  -2.76396514454123     -1.02895421644630      6.13046436603619
  P   0.48197246589664     -1.26948069825318      5.79798186213725
  N   -2.97658389756034      2.40641160980414      7.43542614128861
  N   -2.84922315054722      3.17735208283317      5.41432962334136
  C   -2.46542972375238      2.17664724735452      6.20938864718548
  C   -3.75116588891860      3.65503027227243      7.52901654951728
  H   -3.26855690254705      4.34078343295905      8.22798162322711
  H   -4.75928909275956      3.45090498684647      7.89029840728428
  C   -3.72320878907900      4.15984828786575      6.08646448790484
  H   -4.70653263274229      4.15675406325097      5.61360718301714
  H   -3.30201400330767      5.15982500105147      5.99363847784403
  C   -2.89128207504804      1.53259108816106      8.56272802444651
  C   -1.87467481335008      1.69831484786954      9.50776358049261
  C   -1.81124955163948      0.79892834294567     10.57346703417959
  H   -1.01560090454008      0.91395573187987     11.30101996529973
  C   -2.74211103230125     -0.21773949944573     10.73463685069973
  C   -3.79073116475369     -0.30177338342524      9.81963008539534
  H   -4.54835816452169     -1.06659293157781      9.94878328809026
  C   -3.89723289646312      0.56917081751396      8.74458042478489
  C   -0.91330651050688      2.85397069804244      9.46878992777315
  H   -0.92882631576270      3.37098552302232      8.51580993052228
  H   0.11007219939996      2.52074307034763      9.64459517187109
  H   -1.16701654678185      3.56668907723405     10.25908113353185
  C   -2.63484730077068     -1.20461818013414     11.86471282307062
  H   -1.92133267495608     -0.87048193478048     12.61779327657042
  H   -2.29955373408127     -2.17846698653883     11.49912077960532
  H   -3.60080073499202     -1.35582699220086     12.35003798601408
  C   -5.09894532229190      0.50667209754401      7.84329934031190
  H   -5.56456818852235     -0.47641497440411      7.89505562569677
  H   -4.84291616903772      0.70059853060911      6.80595074566902
  H   -5.84622134262322      1.24289851058395      8.15669252517401
  C   -2.65523925672141      3.31953191854651      4.00425183614110
  C   -3.50617084672075      2.62748703888448      3.13654174879551
  C   -3.36198203449115      2.83808953763604      1.77341107396836
  H   -4.00125859800969      2.29373733702853      1.08727085906585
  C   -2.40446667857136      3.71622053582134      1.26378059932465
  C   -1.58666442466150      4.39236110428156      2.15607327241444
  H   -0.81520763273073      5.05032147128762      1.77523960301974
  C   -1.69557009142523      4.21184977573161      3.53394570443470
  C   -4.52480063545478      1.65935759949358      3.66923121378053
  H   -5.09979432970711      1.22172967765257      2.85415517314139
  H   -5.22926917447555      2.14659062536537      4.34890946438743
  H   -4.05039870078521      0.85020264207870      4.22621480581910
  C   -2.22753761894987      3.87127720166614     -0.21950275586955
  H   -1.62745666715118      3.04572529434167     -0.61089190958153
  H   -1.70813896005981      4.79821328298812     -0.46427037248543
  H   -3.18732060242224      3.86507938994918     -0.73894010508767
  C   -0.78745240224719      4.95528789835321      4.47272151064326
  H   -1.26629691437015      5.86186895402343      4.85691434465840
  H   0.12141531277164      5.26001611763787      3.95593044733232
  H   -0.50188223250402      4.33965818074088      5.32419647752559
  C   -1.07185547021048      0.74319260838751      3.82073533736554
  H   -1.79430835280245      0.00251719779832      3.50229118689971
  C   -0.19307091318097      1.27989101393179      2.90499539139343
  C   -0.37457511549427      0.93872314557662      1.51672321460012
  H   -1.15840870100090      0.23736702585054      1.25873013215111
  C   0.41476578049282      1.47554985374086      0.52925147910343
  H   0.24313962947101      1.17936252976931     -0.49985946624877
  C   1.43751648606994      2.38760710973374      0.82890882329648
  H   2.05901348672681      2.80142325046555      0.04699603623862
  C   1.65160540677103      2.71769224616952      2.16937630544602
  H   2.44823793552669      3.40645102959398      2.42943525222904
  C   0.87868919298366      2.18670745954051      3.17952287931186
  H   1.07967942109513      2.46138004349887      4.20161618301938
  C   -0.11174560766034     -2.86544541048162      5.03740645482245
  H   -0.96146975991176     -3.10462562215570      5.68168378849013
  C   -0.69834716730085     -2.73607587739047      3.62505099388484
  H   0.07694970946009     -2.45644676926289      2.91162283837450
  H   -1.44119057838390     -1.94304514413254      3.61165808300253
  C   -1.35130807913816     -4.04997875864824      3.18777521143402
  H   -2.21586042207735     -4.24784797516058      3.83127274915408
  H   -1.73482600466946     -3.94708734083839      2.16957161434383
  C   -0.37984632672171     -5.22634824694767      3.27383777499164
  H   -0.88110564687028     -6.15699731225461      2.99443368174320
  H   0.43188664894497     -5.07854728275093      2.55270546591886
  C   0.21326998321828     -5.34420010365063      4.67749999143078
  H   0.93974838805047     -6.16063202980997      4.71799557243012
  H   -0.58297704990529     -5.59509613200399      5.38740287182492
  C   0.87760716346413     -4.03625445824619      5.11621901877115
  H   1.73568578346092     -3.84065708418845      4.46901349378933
  H   1.26826404282259     -4.14827271063294      6.12768093752057
  C   2.16277848897971     -0.84320379124038      5.09276348107138
  H   2.23683965163646      0.22760342878479      5.30353758560291
  C   2.22241491440369     -1.01257890717522      3.56643818270958
  H   2.17865724547031     -2.07618909376681      3.31966796045577
  H   1.37078863238627     -0.53553470481687      3.09324647652619
  C   3.51954365614051     -0.43508193601470      3.00020177307784
  H   3.53008805045814      0.64470560612196      3.17355824540621
  H   3.53602038404674     -0.57374661713144      1.91654653358935
  C   4.74387074251294     -1.08046138708352      3.64589964157596
  H   4.78378960531189     -2.14056072933760      3.36896387705679
  H   5.66232511795708     -0.62372969247195      3.26777206517035
  C   4.68423808982731     -0.96252083906392      5.16791352066136
  H   4.76217180569406      0.09361992109597      5.44921224729021
  H   5.53504208623178     -1.47389248850568      5.62654492044391
  C   3.37856150023691     -1.52750916870722      5.73712856139909
  H   3.37935555398327     -1.39302700969927      6.81784175290941
  H   3.33916787191477     -2.60478607775144      5.55293913105796
  C   0.86369968678508     -1.83068050656237      7.54377361306735
  H   1.68470408483066     -2.54501136144779      7.44479439623719
  C   1.34812254299230     -0.68971883636233      8.44807331646096
  H   0.51743497369459     -0.00556443820737      8.63055751905276
  H   2.12569009615446     -0.09990115714399      7.96421901175378
  C   1.84956762709230     -1.23770354611541      9.78535793308998
  H   2.72184905366246     -1.87764212761918      9.61003612906280
  H   2.18853060888520     -0.41375333211995     10.41951834155787
  C   0.75914437351277     -2.03783780574100     10.49770066023934
  H   -0.04093768947887     -1.35364250637358     10.78633956648669
  H   1.14746468304768     -2.48011313935501     11.41903335657313
  C   0.17690305762620     -3.12302283424896      9.59208150361626
  H   -0.65881479683295     -3.62237274352489     10.09069761903712
  H   0.93587697950386     -3.89244456904315      9.41116143788916
  C   -0.29021774404349     -2.56226717091341      8.24491682786135
  H   -1.12446177126880     -1.87368012418647      8.39551911581954
  H   -0.67070312895509     -3.38082120739767      7.63424060151350
