%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 DPEPhos Cl2

0 2
 Co                 1.05281300    0.06131500   -0.38357600
 P                 -1.34152300    0.29362500    0.05596000
 P                  1.27129200    0.59746000   -2.62831700
 C                 -1.83483300    1.59737800    1.24660800
 C                 -3.03201600    1.50782300    1.97733400
 C                 -1.01662300    2.72607900    1.39649800
 C                 -3.40687300    2.54167100    2.83554200
 H                 -3.66969600    0.63474000    1.87302600
 C                 -1.39679900    3.75943900    2.25580900
 C                 -2.59152000    3.66969800    2.97355100
 H                 -4.33446300    2.46652100    3.39658200
 H                 -0.75449300    4.62856400    2.36872800
 H                 -2.88524900    4.47294200    3.64399500
 C                  0.36778900    2.11613500   -3.07633600
 C                 -0.31037300    2.26430000   -4.29411400
 C                  0.35381000    3.15945800   -2.13502500
 C                 -1.00517200    3.44561900   -4.56190700
 H                 -0.30657400    1.46062100   -5.02406300
 C                 -0.33838500    4.33811000   -2.41049200
 C                 -1.02246000    4.48011200   -3.62223300
 H                 -1.53773600    3.55376700   -5.50267300
 H                 -0.35090700    5.13874700   -1.67609600
 H                 -1.57119000    5.39417600   -3.83244900
 C                 -2.38303900    0.61905700   -1.41799800
 C                 -3.34352700    1.63112800   -1.48941500
 C                 -2.14563500   -0.14996000   -2.56482300
 C                 -4.04273600    1.86246500   -2.66817800
 H                 -3.53824600    2.25042300   -0.62096000
 C                 -2.84394600    0.06118100   -3.74262300
 C                 -3.79334200    1.07526400   -3.78968300
 H                 -4.78038300    2.65793200   -2.70965100
 H                 -2.63853800   -0.55075700   -4.61399300
 H                 -4.33763800    1.25057500   -4.71300800
 C                 -1.99432800   -1.25022100    0.79582300
 C                 -1.33064900   -1.74495600    1.92997300
 C                 -3.09463700   -1.94599200    0.27985400
 C                 -1.77289400   -2.91377600    2.54693000
 H                 -0.46548900   -1.21882300    2.32608900
 C                 -3.52916200   -3.12230300    0.89632600
 H                 -3.61815400   -1.57360400   -0.59529000
 C                 -2.87217400   -3.60612500    2.02924000
 H                 -1.25413500   -3.28920800    3.42471100
 H                 -4.38314500   -3.65756200    0.48981000
 H                 -3.21239800   -4.52120800    2.50647300
 C                  0.75021400   -0.73030400   -3.77747300
 C                 -0.41172700   -1.46353600   -3.52206400
 C                  1.53402900   -1.10016600   -4.86999000
 C                 -0.76853800   -2.54380600   -4.29892100
 C                  1.17080300   -2.17043800   -5.66875300
 H                  2.44495700   -0.55384300   -5.08811700
 C                  0.02634000   -2.89842900   -5.37788000
 H                 -1.66687100   -3.09800700   -4.04864200
 H                  1.79367500   -2.44418700   -6.51431700
 H                 -0.25163300   -3.74976500   -5.99114700
 C                  3.03203700    0.89077900   -3.01034100
 C                  3.45877900    1.97680500   -3.78702800
 C                  3.97316900   -0.01066600   -2.48532300
 C                  4.82065700    2.15479400   -4.04046400
 H                  2.73687000    2.67974000   -4.19139000
 C                  5.33019600    0.17142800   -2.74712000
 H                  3.64021100   -0.84140500   -1.86802900
 C                  5.75516100    1.25453200   -3.52306100
 H                  5.14952000    2.99828200   -4.64134400
 H                  6.05537200   -0.52613100   -2.33743100
 H                  6.81406100    1.39878500   -3.72001100
 H                  0.88516200    3.04293800   -1.19492600
 H                 -0.07629600    2.78680300    0.85992900
 O                 -1.19562600   -1.14260100   -2.42964900
 Cl                 1.55424200   -2.23083600   -0.39807500
 Cl                 2.43800100    1.60972100    0.70483900

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

-Co 0
LANL2DZ

