%nprocshared=24
%mem=120GB
#p opt=(maxstep=3) freq=(NoRaman) ub3lyp/genecp scrf=(smd,solvent=thf) nosymm scf=xqc EmpiricalDispersion=GD3 Int=Grid=UltraFine

Cobalt SM (Z/eq) with OH rotated DPEPhosIso1

1 4
 Co                 1.12028200   -0.19262300   -0.64155200
 P                 -1.22344500   -0.03663600    0.07158000
 P                  1.22690500    0.56720500   -2.95247300
 C                 -1.54667000    1.14716900    1.42979700
 C                 -2.67198200    1.04770700    2.26603900
 C                 -0.63545200    2.19631800    1.62600500
 C                 -2.87456300    1.98413500    3.28022600
 H                 -3.38356900    0.23918300    2.12776400
 C                 -0.84151900    3.13263200    2.64138800
 C                 -1.96050300    3.02603100    3.46987600
 H                 -3.74598900    1.90040600    3.92347800
 H                 -0.12569700    3.93700100    2.78567900
 H                 -2.12025400    3.75059400    4.26348600
 C                  0.25999400    2.08830100   -3.25807000
 C                 -0.21750400    2.44036100   -4.52978800
 C                 -0.00761100    2.92007500   -2.16153200
 C                 -0.94549200    3.61900200   -4.69716800
 H                 -0.02763800    1.79403000   -5.38206900
 C                 -0.73876900    4.09590800   -2.33129300
 C                 -1.20706000    4.44592900   -3.60023900
 H                 -1.31478200    3.88864500   -5.68274800
 H                 -0.95144400    4.72793600   -1.47360100
 H                 -1.78159300    5.35824800   -3.73453900
 C                 -2.37346000    0.44902000   -1.27564100
 C                 -3.35797500    1.43462500   -1.11462100
 C                 -2.18957900   -0.10146600   -2.55644500
 C                 -4.12667600    1.86213500   -2.19716500
 H                 -3.51252500    1.88543200   -0.14014200
 C                 -2.94789400    0.31916400   -3.64696300
 C                 -3.91511100    1.30742900   -3.46051000
 H                 -4.87945200    2.63146400   -2.05474000
 H                 -2.77977200   -0.11361700   -4.62675500
 H                 -4.50237000    1.64204900   -4.31076200
 C                 -1.82582200   -1.65353000    0.70972800
 C                 -1.48401800   -2.03739000    2.01813600
 C                 -2.53257900   -2.55355300   -0.10118600
 C                 -1.83447200   -3.29789400    2.50168300
 H                 -0.96157100   -1.34625300    2.67210900
 C                 -2.88053000   -3.81551600    0.38674900
 H                 -2.81765300   -2.28002200   -1.11027800
 C                 -2.53009700   -4.19322200    1.68464800
 H                 -1.56526000   -3.57643400    3.51684400
 H                 -3.43135500   -4.50137800   -0.25114500
 H                 -2.80241700   -5.17591200    2.05952400
 C                  0.59054200   -0.65823400   -4.16115000
 C                 -0.59327300   -1.35288100   -3.85963500
 C                  1.25634500   -0.97332900   -5.35446500
 C                 -1.09617500   -2.34128000   -4.69980100
 C                  0.75298500   -1.95343300   -6.21270100
 H                  2.17541400   -0.45422000   -5.60805400
 C                 -0.41840800   -2.63917600   -5.88454600
 H                 -2.00610900   -2.86295000   -4.42000500
 H                  1.28141400   -2.18431500   -7.13292700
 H                 -0.80655000   -3.40804100   -6.54599800
 C                  2.93792400    0.92854400   -3.49324000
 C                  3.27589700    2.03575500   -4.28531300
 C                  3.94861100    0.05871000   -3.05194600
 C                  4.60989800    2.26434200   -4.63105600
 H                  2.50757400    2.72116000   -4.62873400
 C                  5.27906800    0.29124100   -3.39997000
 H                  3.70093000   -0.79436100   -2.42884400
 C                  5.61142600    1.39543900   -4.18994600
 H                  4.86516900    3.12477600   -5.24355400
 H                  6.05211600   -0.38330800   -3.04384300
 H                  6.64824200    1.58127000   -4.45662200
 C                  2.61062900    1.08738300    1.50049600
 O                  2.42758900    1.08965600    0.24347100
 C                  1.92641600   -2.06307800   -0.20482400
 H                  2.81641200   -2.15451500   -0.82158700
 H                  1.10103200   -2.72331000   -0.48386400
 C                  2.08297500   -1.83171500    1.19333300
 H                  1.19239400   -2.03780800    1.78254100
 C                  3.17363700   -1.32033000    1.89421900
 C                  3.10674800   -1.27277700    3.37368400
 C                  4.26043100   -1.43272800    4.16868100
 C                  1.89051100   -1.02220800    4.04951900
 C                  4.20056500   -1.34649600    5.56107700
 H                  5.21901400   -1.64228200    3.70669000
 C                  1.83081400   -0.93625700    5.43754800
 H                  0.98214400   -0.85742500    3.47787200
 C                  2.98924200   -1.09452300    6.20649600
 H                  5.11035800   -1.47867900    6.14106400
 H                  0.87849100   -0.73285300    5.92086500
 H                  2.94578600   -1.02118200    7.28959800
 C                  4.56008300   -1.23006200    1.25791300
 H                  5.18936800   -0.54847900    1.84488600
 H                  5.04091400   -2.21704500    1.29210300
 O                  4.58623500   -0.84342000   -0.11391700
 H                  4.04930600   -0.03912400   -0.21219400
 C                  3.77487300    1.72434400    2.10130500
 C                  3.84255600    1.86467400    3.50089100
 C                  4.83105400    2.20493400    1.29961800
 C                  4.95098500    2.46914900    4.08822400
 H                  3.03042600    1.49353700    4.11761800
 C                  5.93447600    2.80611800    1.89303400
 H                  4.77390400    2.10789100    0.22025700
 C                  5.99768800    2.93598400    3.28732300
 H                  5.00134700    2.57129000    5.16817700
 H                  6.74738700    3.17587600    1.27484400
 H                  6.86385300    3.40383000    3.74715600
 H                  1.77852000    0.84971300    2.16472900
 H                  0.34429400    2.63392300   -1.17506800
 H                  0.23943000    2.27887500    0.99015800
 O                 -1.23569800   -1.10261400   -2.65058400

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

-Co 0
LANL2DZ

