%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                 1.11545600   -0.12116600   -0.84715500
 P                 -1.10244300    0.04895100    0.18197400
 P                  1.12755200    0.80610700   -3.07378200
 C                 -1.32835800    1.34760900    1.45681200
 C                 -2.28516100    1.24202200    2.47931300
 C                 -0.51158200    2.48874200    1.39645000
 C                 -2.41834100    2.26235600    3.42290500
 H                 -2.92289900    0.36544000    2.54043900
 C                 -0.64938000    3.50822300    2.33980500
 C                 -1.60107800    3.39463900    3.35625700
 H                 -3.16111900    2.17203700    4.21082600
 H                 -0.00758800    4.38322800    2.28485300
 H                 -1.70450000    4.18385900    4.09592600
 C                  0.14313700    2.27704800   -3.53668000
 C                 -0.04100100    2.64747100   -4.87888500
 C                 -0.47142000    3.02084100   -2.52082600
 C                 -0.83312700    3.75069500   -5.19407900
 H                  0.42633300    2.07084600   -5.67231300
 C                 -1.26667900    4.12329300   -2.84018900
 C                 -1.44806100    4.48773900   -4.17570100
 H                 -0.97567900    4.03320400   -6.23353100
 H                 -1.75020000    4.68614400   -2.04680200
 H                 -2.07112200    5.34204300   -4.42605900
 C                 -2.31691200    0.45899800   -1.13009500
 C                 -3.34081900    1.40077900   -0.95521100
 C                 -2.13294900   -0.09524600   -2.41029700
 C                 -4.13969900    1.79725900   -2.02769000
 H                 -3.49671600    1.84459000    0.02293100
 C                 -2.92016800    0.29740000   -3.49175100
 C                 -3.92005900    1.25064700   -3.29365200
 H                 -4.92103700    2.53603100   -1.87720700
 H                 -2.75109900   -0.13000300   -4.47365100
 H                 -4.52806700    1.56327900   -4.13767400
 C                 -1.70583800   -1.48791600    0.98065600
 C                 -1.04308200   -1.93727600    2.13695600
 C                 -2.76122200   -2.24348300    0.45317400
 C                 -1.44289400   -3.12050200    2.75728200
 H                 -0.21185700   -1.37294900    2.55278800
 C                 -3.14935800   -3.43486700    1.07315300
 H                 -3.28782600   -1.90463600   -0.43393500
 C                 -2.49437700   -3.87419800    2.22512600
 H                 -0.92809100   -3.45694000    3.65326900
 H                 -3.96914400   -4.01379900    0.65667000
 H                 -2.80051000   -4.79842200    2.70743000
 C                  0.52638600   -0.51993800   -4.19376800
 C                 -0.55991600   -1.30372500   -3.76631900
 C                  1.11049500   -0.82349800   -5.43198700
 C                 -1.03703700   -2.36965700   -4.52234300
 C                  0.63164900   -1.88241600   -6.20615800
 H                  1.95465300   -0.23914600   -5.78381200
 C                 -0.43599400   -2.65858600   -5.74963300
 H                 -1.86996800   -2.95497400   -4.14586900
 H                  1.09873900   -2.10400000   -7.16117400
 H                 -0.80386800   -3.48872800   -6.34531200
 C                  2.85426600    1.15381700   -3.57597800
 C                  3.30990400    2.47229300   -3.72592300
 C                  3.77764500    0.09502800   -3.64150400
 C                  4.66699000    2.72561400   -3.94088700
 H                  2.61109900    3.30186400   -3.67714000
 C                  5.13034900    0.35364400   -3.86367500
 H                  3.44040100   -0.93116700   -3.53367400
 C                  5.57907200    1.67024700   -4.00968500
 H                  5.00828700    3.75043600   -4.05902300
 H                  5.83310400   -0.47311300   -3.91864600
 H                  6.63348400    1.87066600   -4.17829500
 C                  2.54192600    1.19258800    1.39277400
 O                  2.25495500    1.24749500    0.18229400
 C                  1.89051900   -2.02457900   -1.10184200
 H                  2.81242100   -1.95270300   -1.67455900
 H                  1.10854500   -2.56184200   -1.64390400
 C                  1.94302800   -2.31918400    0.30469700
 H                  1.02513600   -2.77403100    0.67259700
 C                  2.87920000   -2.07383900    1.29802200
 C                  3.52875600    2.05623800    2.01238900
 C                  3.82300400    1.86566300    3.37462900
 C                  4.21745100    3.03045200    1.26413200
 C                  4.79078200    2.65616100    3.98878000
 H                  3.30835700    1.08250200    3.92432800
 C                  5.18040600    3.81680800    1.88401000
 H                  3.98917400    3.14853900    0.20939900
 C                  5.46472400    3.63018000    3.24459000
 H                  5.02703900    2.51229100    5.03886200
 H                  5.71666500    4.57142400    1.31611300
 H                  6.22174600    4.24503800    3.72391300
 H                  2.04342000    0.45878500    2.03674600
 H                 -0.34716600    2.72479200   -1.48521600
 H                  0.23946000    2.57574500    0.61924000
 O                 -1.13709800   -1.05552000   -2.52125600
 C                  4.17787400   -1.38992900    1.15975100
 C                  5.05545300   -1.29002900    2.26841800
 C                  4.60186800   -0.74770900   -0.02987100
 C                  6.26826100   -0.61063000    2.18922800
 H                  4.77685600   -1.72244000    3.22149100
 C                  5.81201200   -0.06282700   -0.10649200
 H                  3.95947100   -0.72057800   -0.89604700
 C                  6.66103500    0.00946600    1.00002300
 H                  6.90419200   -0.55435000    3.06903400
 H                  6.07799000    0.43076600   -1.03792900
 H                  7.60133300    0.55081000    0.94271600
 C                  2.46178700   -2.50434800    2.68577900
 H                  2.47522390   -3.59830453    2.75187593
 H                  3.15348731   -2.12723390    3.45157733
 O                  1.12561162   -2.01696559    2.95246517
 H                  0.90689215   -2.24454591    3.87261234

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

-Co 0
LANL2DZ

