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

Cobalt SM (Z/eq) DPEPhosIso1

1 4
 Co                 1.03463600    0.05635000   -0.59852700
 P                 -1.25186000    0.24188900    0.18572000
 P                  1.25311900    0.81948300   -2.86564100
 C                 -1.64559900    1.56259800    1.38780600
 C                 -2.78359100    1.52136100    2.21100100
 C                 -0.77117400    2.65760600    1.47371700
 C                 -3.04236400    2.56642700    3.09846000
 H                 -3.46071200    0.67366500    2.16058700
 C                 -1.03543000    3.70327000    2.36081700
 C                 -2.17092700    3.65815900    3.17294200
 H                 -3.92445100    2.52946200    3.73171400
 H                 -0.35188200    4.54572300    2.42032400
 H                 -2.37591000    4.46903100    3.86646800
 C                  0.21605500    2.22330300   -3.40574400
 C                 -0.11535200    2.44402900   -4.75199200
 C                 -0.28694200    3.08049000   -2.41658900
 C                 -0.93506800    3.51802700   -5.09948200
 H                  0.25678400    1.77376100   -5.52194400
 C                 -1.10856200    4.15247200   -2.76782200
 C                 -1.43219200    4.37145800   -4.10898600
 H                 -1.19149200    3.68540600   -6.14198400
 H                 -1.50323500    4.80571700   -1.99454900
 H                 -2.07757000    5.20150000   -4.38312200
 C                 -2.38475500    0.50929200   -1.23287600
 C                 -3.45446700    1.41489700   -1.20272300
 C                 -2.08035900   -0.12026500   -2.45325800
 C                 -4.18782900    1.69342000   -2.35631800
 H                 -3.70076900    1.92484500   -0.27729600
 C                 -2.80277200    0.15091500   -3.61335800
 C                 -3.85538800    1.06569600   -3.55814900
 H                 -5.00729500    2.40470100   -2.31734200
 H                 -2.54222000   -0.33834000   -4.54517300
 H                 -4.41354600    1.28635100   -4.46348200
 C                 -1.77883000   -1.31980500    0.99596000
 C                 -1.42069000   -1.54159200    2.33689500
 C                 -2.41108900   -2.34433300    0.27749900
 C                 -1.69283200   -2.76595800    2.94729000
 H                 -0.93549300   -0.75581300    2.90932200
 C                 -2.67899000   -3.57014800    0.89226000
 H                 -2.69559000   -2.19459200   -0.75869200
 C                 -2.31983700   -3.78532700    2.22455500
 H                 -1.41280200   -2.92340000    3.98529800
 H                 -3.17254600   -4.35596900    0.32690400
 H                 -2.52925100   -4.74001100    2.69898000
 C                  0.76832300   -0.57648500   -3.95502200
 C                 -0.34570300   -1.34946100   -3.58709200
 C                  1.48420000   -0.95178600   -5.10042500
 C                 -0.73443400   -2.46878700   -4.31504100
 C                  1.09549000   -2.06563600   -5.84820100
 H                  2.35560800   -0.37705900   -5.39924100
 C                 -0.00854200   -2.82517500   -5.45440700
 H                 -1.59461600   -3.04331200   -3.98596000
 H                  1.66080800   -2.34323600   -6.73293900
 H                 -0.30580600   -3.69757900   -6.02880300
 C                  2.98194500    1.20699200   -3.32835400
 C                  3.33920800    2.33545000   -4.07986700
 C                  3.98795700    0.34738100   -2.85149300
 C                  4.68496500    2.59641700   -4.35270200
 H                  2.57501200    3.01097500   -4.45140300
 C                  5.32823900    0.60962500   -3.13119000
 H                  3.73088900   -0.52818600   -2.26394000
 C                  5.67945800    1.73651300   -3.88118400
 H                  4.95331900    3.47350000   -4.93536900
 H                  6.09399000   -0.06344200   -2.75569000
 H                  6.72449000    1.94445100   -4.09425600
 C                  2.35041000    1.19151000    1.73856000
 O                  2.25275300    1.32243200    0.50134500
 C                  1.65872100   -1.89631300   -0.57563800
 H                  2.50409300   -1.95570200   -1.26039400
 H                  0.77817400   -2.43358500   -0.93500600
 C                  1.94239900   -2.03618400    0.82593600
 H                  1.12054800   -2.40474700    1.43639300
 C                  3.12798500   -1.71150400    1.45862500
 C                  3.28719500   -1.84564900    2.91866800
 C                  4.55899600   -1.99361600    3.51385000
 C                  2.17404700   -1.80463900    3.79075500
 C                  4.70924200   -2.09144800    4.89745600
 H                  5.44675200   -2.04967700    2.89142700
 C                  2.32377400   -1.90911100    5.17089200
 H                  1.17878900   -1.66643100    3.38282000
 C                  3.59510700   -2.04878200    5.73855100
 H                  5.70518600   -2.20603200    5.31786200
 H                  1.44348600   -1.86798800    5.80814600
 H                  3.71359400   -2.12137000    6.81610900
 C                  4.28125300   -1.19796400    0.61668300
 H                  3.93349700   -0.35462200    0.01040600
 H                  5.09106500   -0.81305100    1.24747900
 O                  4.79474900   -2.13603600   -0.34256500
 H                  4.96248200   -2.96855700    0.12963900
 C                  3.48940500    1.66172200    2.50237700
 C                  3.50100200    1.46868300    3.89629400
 C                  4.59711000    2.24956300    1.85821600
 C                  4.61020000    1.86011100    4.64048500
 H                  2.65373300    0.99156200    4.37917600
 C                  5.69924700    2.64000800    2.60785000
 H                  4.57684400    2.38028000    0.78084200
 C                  5.70587800    2.44458300    3.99705100
 H                  4.62715200    1.70048300    5.71421000
 H                  6.55764700    3.09140300    2.11918200
 H                  6.57398900    2.74515100    4.57734500
 H                  1.54064900    0.70185200    2.29723200
 H                 -0.04967700    2.89351600   -1.37338200
 H                  0.11995600    2.68632900    0.85452600
 O                 -1.03416200   -1.03205200   -2.41628100

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

-Co 0
LANL2DZ

