117
Coordinates from ORCA-job Grubbs_trip
  Ru  -1.09045386637720      0.60849138675058      5.84751442826602
  Cl  0.61958000628656      2.07003541225295      6.50307405313739
  Cl  -2.80017745159347     -1.01774230503460      5.96954840689848
  P   0.49414250881063     -1.24811963502003      5.78725697669036
  N   -2.92209036927348      2.40817050562033      7.46420206530187
  N   -2.84192632728407      3.17400490079212      5.43656927539996
  C   -2.42595202097252      2.18309566244567      6.23397492052179
  C   -3.70607215083628      3.65011968501882      7.56508227351876
  H   -3.20675830865405      4.35078533472614      8.23735554460776
  H   -4.69933128438445      3.44175513429477      7.96238999700216
  C   -3.73202600358175      4.13562225826359      6.11546982737737
  H   -4.72775529144025      4.09370775865455      5.67012071380733
  H   -3.34984857696942      5.14908778012698      6.00044996425464
  C   -2.82915043388697      1.52876708109914      8.58662790615293
  C   -1.80942347064333      1.69355888023312      9.52770312798670
  C   -1.76647337976097      0.81580220082732     10.61277066034725
  H   -0.97279291299392      0.93329458759601     11.34226051995905
  C   -2.71152971224480     -0.18481437421890     10.78817316463121
  C   -3.74898717802696     -0.28237995970896      9.86176440150697
  H   -4.51293251841108     -1.03978517299397      9.99724564023099
  C   -3.84138660860383      0.57121944363083      8.77215513685289
  C   -0.81361887471845      2.81761114183646      9.45555676405125
  H   -0.85494642074182      3.34461803853970      8.50876535320089
  H   0.20515917998818      2.44600756636649      9.57060623348914
  H   -1.00069995344330      3.52797164954120     10.26615745058955
  C   -2.63206331379924     -1.14342798292847     11.94476318287644
  H   -1.90426038806825     -0.81296871546989     12.68569625694431
  H   -2.33248864081368     -2.13819594360378     11.60562030762203
  H   -3.60069612473712     -1.24698316983840     12.43756389417385
  C   -5.03763244272093      0.50273005284365      7.86516432998986
  H   -5.51643048807610     -0.47237588515019      7.94023345393380
  H   -4.76916492540280      0.66051080937346      6.82524245767213
  H   -5.77682439081678      1.25751098715295      8.15369421305870
  C   -2.67313185127941      3.29220352551799      4.02301846217447
  C   -3.53660838074152      2.58544941741308      3.17763633584143
  C   -3.40132578519285      2.76435209400759      1.80794527248323
  H   -4.05105702526210      2.20880452821100      1.14041620917570
  C   -2.44221045216078      3.62324439856723      1.27058441095860
  C   -1.61247305206748      4.31517286747027      2.14075433719030
  H   -0.84225674087051      4.96169515461581      1.73860876361371
  C   -1.71158443857849      4.16769776244146      3.52286480436005
  C   -4.56110111798981      1.63866397974180      3.73696697656453
  H   -5.14827621621479      1.19381874525140      2.93444191630210
  H   -5.25391506438756      2.14809844737691      4.41181218160337
  H   -4.09577227755407      0.83256940637182      4.30661332050982
  C   -2.29954105802256      3.76594581021864     -0.21873499201188
  H   -2.07409099390958      2.80115039819087     -0.67773503759657
  H   -1.49205469266804      4.45129845318702     -0.47395080195506
  H   -3.22193665907193      4.13864840074754     -0.67164970479759
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  H   -1.30771075227812      5.71991517986931      4.96462928888200
  H   0.03009116988913      5.35941407104003      3.87579976402777
  H   -0.35985375621306      4.25197218229648      5.19522709882542
  C   -1.05832797319189      0.72663642520184      3.89036659345942
  H   -1.89633772592344      0.13943425935834      3.52844632853901
  C   -0.21411267371075      1.26553913005540      2.90535590684460
  C   -0.47796851546357      0.91363614897220      1.54863838167215
  H   -1.31175602207126      0.25528648872191      1.34009737955476
  C   0.30435772996895      1.38137517522931      0.51518158101029
  H   0.07932179854126      1.08119472638485     -0.50140994027878
  C   1.37962792552048      2.23779623106910      0.76722442611871
  H   1.99322189633057      2.60407341070120     -0.04497913755041
  C   1.65546277754190      2.59960141945681      2.08601510112596
  H   2.48873440831515      3.25937206216429      2.29855053507537
  C   0.88945458758744      2.12804920129265      3.13322236405606
  H   1.12597324449231      2.41254352203044      4.14542066099555
  C   -0.09966821567859     -2.81690647794841      4.97813597998630
  H   -0.97460635216865     -3.05221249058624      5.58968839342678
  C   -0.63568787205659     -2.64296022444175      3.55059604501103
  H   0.16649771317162     -2.35536077961157      2.87037937975876
  H   -1.36773011331111     -1.84034641470162      3.53695783329206
  C   -1.28806300037728     -3.93588879745674      3.05559790185270
  H   -2.17693324880697     -4.14007740446883      3.66272126498425
  H   -1.63441405045483     -3.80075505781821      2.02776864750125
  C   -0.33229071760634     -5.12522763887048      3.14289051936050
  H   -0.83142278932691     -6.04228581423202      2.81835656832698
  H   0.50743582846706     -4.96496380052387      2.45701474408655
  C   0.20694333941980     -5.28923810321942      4.56370449634507
  H   0.92120670079118     -6.11619285947582      4.60838218041666
  H   -0.61872102222227     -5.54877419212792      5.23591193415528
  C   0.87086612517153     -4.00267668671362      5.06278664148502
  H   1.75498289172374     -3.80206478012709      4.45270818244978
  H   1.22185130315058     -4.14707953639024      6.08506978578004
  C   2.19704308910302     -0.82325692360571      5.13631212163834
  H   2.26582804597469      0.24440540780843      5.36426409545538
  C   2.30317501476015     -0.97495825289865      3.61140258232471
  H   2.26832527563095     -2.03517566436113      3.35018461436870
  H   1.46468491066975     -0.49489803797505      3.11765132772012
  C   3.61688711279355     -0.39052425921066      3.09202601682386
  H   3.62621265896433      0.68649573130007      3.28411724178792
  H   3.66710758851745     -0.51284851952618      2.00709118500313
  C   4.82038150621795     -1.04698480418026      3.76542990427927
  H   4.86666778506854     -2.10272795944050      3.47382274483001
  H   5.75038554500199     -0.58663963408958      3.42138595916733
  C   4.71465096383232     -0.94996469054215      5.28627785684482
  H   4.78640906414091      0.10193073788785      5.58469871804049
  H   5.55042011342055     -1.46960464007077      5.76272467772297
  C   3.39101238327786     -1.51862743114203      5.80842524815608
  H   3.36023540925816     -1.39532588656151      6.88974697027464
  H   3.35431060385401     -2.59405066894206      5.61147072827577
  C   0.82234534923322     -1.82494026528441      7.53156448126029
  H   1.64662597062183     -2.53846592405631      7.45367784609193
  C   1.27587894701913     -0.68166175513237      8.44897273475434
  H   0.43559239014385     -0.00229140682372      8.60773394889779
  H   2.06066358266832     -0.08413700049147      7.98692721620717
  C   1.74656348516047     -1.23406612694136      9.79547519842585
  H   2.63032012245079     -1.86257980776137      9.63584823349562
  H   2.06064052880182     -0.41262004433898     10.44542493666437
  C   0.64758240568325     -2.05178209711660     10.47447345697581
  H   -0.15877167628398     -1.37435219447303     10.75679288681057
  H   1.02131358231346     -2.50386686177660     11.39721707508116
  C   0.08328770468904     -3.12881632946173      9.54724749449800
  H   -0.76418910580716     -3.62949359581956     10.02450580588811
  H   0.84405982206595     -3.89913990843675      9.37723663926347
  C   -0.35176323638920     -2.55826756553021      8.19359888273319
  H   -1.18938332170744     -1.86930747305105      8.32481876619348
  H   -0.71793905595549     -3.37036147953238      7.56560802175286
