%nprocshared=24
%mem=120GB
#p opt freq=(NoRaman) ub3lyp/genecp scrf=(smd,solvent=thf) nosymm scf=xqc EmpiricalDispersion=GD3 Int=Grid=UltraFine

Cobalt P (E/eq=>anti) DPEPhosIso1

1 4
  Co  1.00489031329833      0.31642898503463     -0.64458689606625
  P   -1.23694351481051      0.30971057349310      0.24330837739248
  P   1.25766728902979      0.80953339894452     -2.96866602582458
  C   -1.57687569139369      1.58249799549987      1.49938905606962
  C   -2.71289991368635      1.50218999930382      2.32523124981058
  C   -0.68817208173223      2.66357715268154      1.63199758441496
  C   -2.96892943239981      2.50782849189191      3.25812800556032
  H   -3.38961529552920      0.64828408448304      2.24224149694610
  C   -0.95299021684898      3.66747899554025      2.56912123700747
  C   -2.09187125894075      3.59346899650825      3.37655823820160
  H   -3.85270017714499      2.44359172745401      3.89712442892280
  H   -0.25609565142955      4.50178505202652      2.67699683129976
  H   -2.29529381079517      4.37766650322501      4.10979519894970
  C   0.17374795327092      2.16850530278811     -3.52578151817746
  C   -0.09475875722178      2.37535424667581     -4.88910380227688
  C   -0.45979863880693      2.96666746793177     -2.56334990366550
  C   -0.99674054529153      3.36659369878932     -5.27903564786422
  H   0.39202345746572      1.75242919009171     -5.64330829078325
  C   -1.36807400103354      3.95199629286840     -2.95724688233524
  C   -1.64018388001128      4.14917932209898     -4.31317913108527
  H   -1.20923822143136      3.52771744732452     -6.33882635643283
  H   -1.86975989469448      4.55908631721100     -2.20160596079355
  H   -2.35666263028632      4.91393363421194     -4.62216582358159
  C   -2.39779308222894      0.60659097964037     -1.13238145388719
  C   -3.47493395074126      1.50061066378135     -1.07442987097271
  C   -2.08277511810224      0.00756120715004     -2.36557404583398
  C   -4.20123651040174      1.80828525005043     -2.22659898164364
  H   -3.72937999801381      1.97787448901567     -0.12677401030176
  C   -2.78444386336831      0.32319887710889     -3.52727539475127
  C   -3.84204170525467      1.23411434081526     -3.44870576295070
  H   -5.03471174130944      2.51132199111485     -2.17238637640732
  H   -2.50003030799346     -0.12325802390426     -4.48001488620662
  H   -4.38804664169459      1.49948171901895     -4.35673313033393
  C   -1.73785602555545     -1.27498300379683      1.00107770521742
  C   -1.16671240301789     -1.63690410848487      2.23379686889204
  C   -2.60997438177819     -2.16265721535128      0.35627618426642
  C   -1.45824150990688     -2.87499020169901      2.80663860583128
  H   -0.50031761096455     -0.94283793202554      2.75239808701985
  C   -2.90916363038794     -3.39725415190588      0.94036536366244
  H   -3.06626210114160     -1.88661702946209     -0.59565763769243
  C   -2.33212031368327     -3.75705862686409      2.16084243873155
  H   -1.00315493834042     -3.15282588051640      3.76037496299032
  H   -3.59823034324914     -4.08068926190646      0.43875317843242
  H   -2.57065826668076     -4.72199145032780      2.61435937291764
  C   0.70291490950349     -0.63070352438362     -3.96474081885801
  C   -0.42609161275081     -1.32417669896381     -3.49790851438999
  C   1.33266264659403     -1.09837270879652     -5.12766654900135
  C   -0.90766625466748     -2.46231720293877     -4.13816347654502
  C   0.85201196489947     -2.23447168318222     -5.78633114843494
  H   2.20808830871634     -0.57668573267401     -5.51698183507272
  C   -0.26246003451830     -2.91826380064145     -5.29131948185601
  H   -1.77666119385949     -2.97778496313494     -3.72547963979017
  H   1.35720344513113     -2.59234811123770     -6.68600904459815
  H   -0.63399013673514     -3.80899942718215     -5.80279813909648
  C   2.93483911138166      1.20681450121432     -3.56535745078750
  C   3.28653174307999      2.53378995505054     -3.86068915293189
  C   3.91014160641443      0.19765676172447     -3.64873195161022
  C   4.59351509389081      2.84268176101561     -4.24707427139650
  H   2.53969340948828      3.32706582616720     -3.79230430700556
  C   5.20801575807185      0.51000687181595     -4.05366527370930
  H   3.65895114990031     -0.83661441860685     -3.40542255987045
  C   5.55305810350403      1.83223792300972     -4.35185900411411
  H   4.86097363217155      3.87642775616778     -4.47861861166623
  H   5.95517159515166     -0.28296010892894     -4.12537684319997
  H   6.56979442806854      2.07614090733384     -4.66902318033709
  C   2.42161291799377      0.68644400732207      1.66175551559756
  O   2.09009530710991      1.30636168562531      0.46194465970742
  C   2.06640821941907     -1.80213014481641     -0.81891976390839
  H   2.99309905734628     -1.59645766821681     -1.36031113035642
  H   1.29062146462301     -2.37456812997291     -1.33556202357049
  C   1.96108610342146     -1.54639332675220      0.50853716465074
  H   1.06319222866472     -1.90730224484653      1.02211831423779
  C   2.97730753342771     -0.85914411269165      1.40433119600001
  C   3.38669950731988      1.51725233015875      2.48200024268327
  C   3.40967933216855      1.40029216464493      3.87968532952175
  C   4.26994675701025      2.41492038283831      1.86679983910387
  C   4.32535424534220      2.12906639702339      4.64263839686189
  H   2.69506223527776      0.74423621067178      4.38394749751686
  C   5.18210686432101      3.14920629266415      2.62784332171359
  H   4.22994714644903      2.54217775256709      0.78623256567974
  C   5.22149108798984      3.00092783261745      4.01745301309461
  H   4.33456449755935      2.02052113324450      5.73012975795019
  H   5.86784679016638      3.83943373278220      2.13041315277266
  H   5.93755027282972      3.57136296277362      4.61347708053311
  H   1.51100276757182      0.53708864819643      2.27957330634260
  H   -0.25494763536475      2.81012727955145     -1.50162755694912
  H   0.22834170491295      2.69970446353484      1.03639055384562
  O   -1.02852246512741     -0.88572288456984     -2.33033342991568
  C   4.38898292908929     -0.84367143326733      0.81552758362646
  C   5.39178750038770     -1.69387583760118      1.31453633879669
  C   4.73565110691251      0.03629344865769     -0.22543107679045
  C   6.69894351752127     -1.63298945697628      0.82565435364557
  H   5.14666219519937     -2.42915793427670      2.07924990647664
  C   6.04487446936460      0.10488677472498     -0.70724847535288
  H   3.98190460617590      0.70122645203474     -0.64050987438161
  C   7.03721500522874     -0.72145820840931     -0.17743371465892
  H   7.45800223459598     -2.30136290514702      1.23942666294106
  H   6.28674034241836      0.81907843065685     -1.49661362391652
  H   8.06314074747963     -0.65930359546288     -0.54891617888048
  C   2.90974461079870     -1.59075766171882      2.75810666166655
  H   3.72733479277410     -1.23387132677543      3.40580391675688
  H   1.95522514211624     -1.32360495359818      3.25332536420901
  O   2.97545735377016     -2.98817912573328      2.53618998116210
  H   3.03044887653545     -3.43825882181613      3.38894974319062

-C -P -O -H 0
6-31g(d)
****
-Co 0
LANL2DZ
****

-Co 0
LANL2DZ

