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

Cobalt SM (E/eq) DPEPhosIso1

1 4
 Co                 1.06000000    0.02100000   -0.79000000
 P                 -1.14200000    0.10700000    0.18200000
 P                  1.11800000    0.83800000   -3.02200000
 C                 -1.43300000    1.36300000    1.48200000
 C                 -2.32900000    1.16400000    2.54500000
 C                 -0.72200000    2.57400000    1.40100000
 C                 -2.50300000    2.15700000    3.51400000
 H                 -2.88600000    0.22900000    2.62400000
 C                 -0.90600000    3.56800000    2.36400000
 C                 -1.79400000    3.35900000    3.42500000
 H                 -3.19800000    1.98700000    4.33900000
 H                 -0.35000000    4.50600000    2.28700000
 H                 -1.93300000    4.13300000    4.18400000
 C                  0.06600000    2.23600000   -3.55400000
 C                 -0.17500000    2.50000000   -4.91200000
 C                 -0.56700000    3.01200000   -2.57500000
 C                 -1.04900000    3.52500000   -5.27900000
 H                  0.31000000    1.89500000   -5.68200000
 C                 -1.44500000    4.03300000   -2.94500000
 C                 -1.68900000    4.28800000   -4.29600000
 H                 -1.24100000    3.73000000   -6.33600000
 H                 -1.94800000    4.62100000   -2.17400000
 H                 -2.38300000    5.08000000   -4.58800000
 C                 -2.33500000    0.53000000   -1.14000000
 C                 -3.36200000    1.47000000   -0.98900000
 C                 -2.10500000   -0.02100000   -2.41400000
 C                 -4.11300000    1.88300000   -2.09200000
 H                 -3.55800000    1.90200000   -0.00600000
 C                 -2.83100000    0.40000000   -3.52700000
 C                 -3.83000000    1.36200000   -3.35800000
 H                 -4.90400000    2.62400000   -1.96400000
 H                 -2.61000000   -0.01200000   -4.51200000
 H                 -4.39400000    1.70700000   -4.22800000
 C                 -1.75100000   -1.46600000    0.89200000
 C                 -1.21700000   -1.92500000    2.10900000
 C                 -2.68100000   -2.26300000    0.21000000
 C                 -1.60800000   -3.15700000    2.63300000
 H                 -0.50000000   -1.31100000    2.65800000
 C                 -3.07400000   -3.49500000    0.74000000
 H                 -3.11000000   -1.91800000   -0.73200000
 C                 -2.53700000   -3.94700000    1.94700000
 H                 -1.17900000   -3.50600000    3.57500000
 H                 -3.80400000   -4.10600000    0.20200000
 H                 -2.84800000   -4.91000000    2.36000000
 C                  0.58500000   -0.54800000   -4.10200000
 C                 -0.51400000   -1.31300000   -3.67200000
 C                  1.22700000   -0.92000000   -5.29200000
 C                 -0.95600000   -2.42400000   -4.38500000
 C                  0.78800000   -2.03000000   -6.01900000
 H                  2.08500000   -0.34400000   -5.64400000
 C                 -0.30000000   -2.78200000   -5.56600000
 H                 -1.80300000   -2.99700000   -4.00300000
 H                  1.30400000   -2.31400000   -6.93900000
 H                 -0.64000000   -3.65300000   -6.13000000
 C                  2.81200000    1.25400000   -3.56600000
 C                  3.18000000    2.58400000   -3.82200000
 C                  3.79000000    0.24400000   -3.61500000
 C                  4.50700000    2.89800000   -4.12900000
 H                  2.43100000    3.37600000   -3.78300000
 C                  5.10900000    0.56200000   -3.94300000
 H                  3.52000000   -0.79400000   -3.41000000
 C                  5.47200000    1.89000000   -4.19600000
 H                  4.78600000    3.93600000   -4.33100000
 H                  5.85700000   -0.23200000   -4.00100000
 H                  6.50500000    2.13900000   -4.45200000
 C                  2.34000000    1.34500000    1.47800000
 O                  2.23600000    1.32100000    0.24200000
 C                  1.83000000   -1.86300000   -0.81000000
 H                  2.75400000   -1.91600000   -1.39700000
 H                  1.02100000   -2.47500000   -1.22700000
 C                  1.93400000   -1.89700000    0.62200000
 H                  1.02600000   -2.22600000    1.13400000
 C                  2.98000000   -1.57100000    1.47300000
 C                  3.46100000    1.93400000    2.18200000
 C                  3.41800000    2.02100000    3.58800000
 C                  4.59400000    2.39600000    1.48100000
 C                  4.49300000    2.56700000    4.28300000
 H                  2.53300000    1.66500000    4.12400000
 C                  5.67200000    2.92300000    2.18200000
 H                  4.61300000    2.31400000    0.39400000
 C                  5.62100000    3.01000000    3.58100000
 H                  4.45900000    2.65100000    5.37200000
 H                  6.55800000    3.26600000    1.64400000
 H                  6.46800000    3.42900000    4.13100000
 H                  1.53100000    0.92100000    2.10400000
 H                 -0.39300000    2.79600000   -1.52100000
 H                 -0.01300000    2.73500000    0.58700000
 O                 -1.12700000   -0.99200000   -2.47100000
 C                  4.34900000   -1.21300000    1.06900000
 C                  5.42400000   -1.47200000    1.95300000
 C                  4.66100000   -0.57700000   -0.15400000
 C                  6.73000000   -1.11000000    1.63400000
 H                  5.22200000   -2.00900000    2.88100000
 C                  5.96900000   -0.20500000   -0.46600000
 H                  3.87300000   -0.31400000   -0.85300000
 C                  7.01300000   -0.46800000    0.42300000
 H                  7.53800000   -1.34200000    2.33300000
 H                  6.16500000    0.31500000   -1.40700000
 H                  8.03600000   -0.17600000    0.17200000
 C                  2.70500000   -1.69900000    2.95600000
 H                  3.24700000   -0.90200000    3.49900000
 H                  1.62400000   -1.53600000    3.13400000
 O                  3.09300000   -2.98200000    3.42000000
 H                  3.04100000   -2.98900000    4.38500000

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

-Co 0
LANL2DZ

