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

Cobalt DPEPhos Cl2

0 4
 Co                 0.94491913   -0.15285968   -0.41004413
 P                 -1.50726700    0.34870700    0.22931000
 P                  1.33691800    0.71155100   -2.77059000
 C                 -1.94751300    1.60700800    1.47012200
 C                 -3.22099700    1.63821700    2.06594200
 C                 -0.97389800    2.54450300    1.84688000
 C                 -3.52182600    2.62010100    3.00815400
 H                 -3.96710000    0.89560000    1.79781100
 C                 -1.28250800    3.52230200    2.79644000
 C                 -2.55403700    3.56427200    3.37081900
 H                 -4.50735400    2.64772100    3.46449500
 H                 -0.52478200    4.24291100    3.09160000
 H                 -2.79201900    4.32518600    4.10897500
 C                  0.45987700    2.17310800   -3.42411200
 C                  0.28610000    2.37890200   -4.80199600
 C                 -0.04246000    3.10694000   -2.50922200
 C                 -0.39200200    3.50966100   -5.25339300
 H                  0.67418100    1.65813000   -5.51622200
 C                 -0.72220800    4.23734900   -2.96564400
 C                 -0.89923000    4.43677200   -4.33636800
 H                 -0.52921700    3.66755300   -6.31953400
 H                 -1.11904700    4.95287100   -2.25128700
 H                 -1.43563700    5.31195100   -4.69228200
 C                 -2.53345800    0.64445600   -1.25854300
 C                 -3.56504500    1.59073900   -1.32649200
 C                 -2.15538700   -0.01480900   -2.44337700
 C                 -4.20036800    1.86530800   -2.53728000
 H                 -3.86514000    2.12442000   -0.43146700
 C                 -2.77852900    0.25296200   -3.65889300
 C                 -3.80207300    1.20053100   -3.69775400
 H                 -4.99605700    2.60296300   -2.57517900
 H                 -2.45923500   -0.25562900   -4.56117400
 H                 -4.27881100    1.42681600   -4.64672000
 C                 -2.05769500   -1.24183600    0.95206700
 C                 -1.59924900   -1.56949500    2.24055100
 C                 -2.84907500   -2.15856400    0.24696200
 C                 -1.92789500   -2.79846900    2.81113600
 H                 -1.00046900   -0.85770200    2.80431600
 C                 -3.17613800   -3.38787400    0.82432700
 H                 -3.21825500   -1.91630000   -0.74418900
 C                 -2.71523100   -3.71127500    2.10214700
 H                 -1.57208500   -3.04243500    3.80831600
 H                 -3.79591500   -4.09096000    0.27455100
 H                 -2.97452500   -4.66723500    2.54841100
 C                  0.77857200   -0.70517400   -3.80044500
 C                 -0.41174200   -1.36222200   -3.43029000
 C                  1.48976900   -1.20381700   -4.90073700
 C                 -0.86569400   -2.49075400   -4.10357400
 C                  1.03009500   -2.32327900   -5.59712900
 H                  2.41201200   -0.72228800   -5.20792400
 C                 -0.14006700   -2.96999700   -5.19609300
 H                 -1.77662700   -2.97656700   -3.76859600
 H                  1.59440000   -2.69565100   -6.44675400
 H                 -0.49190300   -3.84674300   -5.73128600
 C                  3.09991900    0.98422100   -3.17815700
 C                  3.57570500    2.27315800   -3.46578200
 C                  4.01183500   -0.08134900   -3.08818500
 C                  4.94092900    2.48784400   -3.66590400
 H                  2.88652500    3.10856200   -3.53553800
 C                  5.37353100    0.13908500   -3.29326000
 H                  3.67067400   -1.08393900   -2.85272000
 C                  5.84128800    1.42362700   -3.58160400
 H                  5.29891200    3.48863000   -3.89109400
 H                  6.06607400   -0.69419400   -3.21682700
 H                  6.90260800    1.59482600   -3.73913600
 H                  0.09450100    2.94531000   -1.44146600
 H                  0.02460700    2.48754000    1.41850400
 O                 -1.11714400   -0.92670500   -2.31055600
 Cl                 1.43011639   -1.93409979   -0.29059840
 Cl                 1.99623413    0.77222432    0.79281387

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

-Co 0
LANL2DZ

