%nprocshared=8
%mem=20GB
#p ub3lyp/genecp scrf=(smd,solvent=thf) nosymm scf=xqc EmpiricalDispersion=GD3 Int=Grid=UltraFine

Cobalt P (E/eq=>anti) DPEPhosIso1

1 4
 Co                 1.04658000    0.18849200   -0.63552300
 P                 -1.27010300    0.22183600    0.16724100
 P                  1.18832400    0.61001500   -3.02485600
 C                 -1.52754100    1.42177600    1.51811700
 C                 -2.64985700    1.35694000    2.36152800
 C                 -0.55168700    2.40861500    1.73042700
 C                 -2.79622200    2.28037500    3.39643300
 H                 -3.40036200    0.58555000    2.21272200
 C                 -0.70207300    3.32673000    2.77220800
 C                 -1.82314600    3.26475700    3.60250400
 H                 -3.66519200    2.22845900    4.04648400
 H                  0.06473700    4.07777100    2.93987100
 H                 -1.93662400    3.97632000    4.41581100
 C                  0.22538500    2.09803200   -3.48169200
 C                 -0.07721300    2.38924900   -4.82186900
 C                 -0.23610900    2.94647000   -2.46512400
 C                 -0.83484700    3.51670100   -5.13530900
 H                  0.27178400    1.73311400   -5.61453700
 C                 -0.99638000    4.07342500   -2.78343900
 C                 -1.29648400    4.35777300   -4.11699500
 H                 -1.06962000    3.73754000   -6.17283700
 H                 -1.35976200    4.71923400   -1.98923800
 H                 -1.89356500    5.23117300   -4.36439400
 C                 -2.43509100    0.65174600   -1.17042700
 C                 -3.41405600    1.64745300   -1.05946800
 C                 -2.24225500    0.03319800   -2.41823600
 C                 -4.17031100    2.02440400   -2.16974000
 H                 -3.57071800    2.14334300   -0.10704400
 C                 -2.98517400    0.40463900   -3.53589300
 C                 -3.94794700    1.40767400   -3.40246500
 H                 -4.92124300    2.80261600   -2.07379700
 H                 -2.81242400   -0.07257200   -4.49384700
 H                 -4.52419700    1.70559200   -4.27359300
 C                 -1.81067500   -1.39023900    0.84933500
 C                 -1.16170600   -1.85915600    2.00476600
 C                 -2.78591400   -2.18455000    0.23191000
 C                 -1.48579600   -3.10967100    2.53009500
 H                 -0.40378700   -1.25572100    2.49659000
 C                 -3.10493700   -3.43706600    0.76327800
 H                 -3.30223200   -1.83174000   -0.65511700
 C                 -2.45590200   -3.90275000    1.90897700
 H                 -0.97677200   -3.46372900    3.42247200
 H                 -3.86488200   -4.04585100    0.28101100
 H                 -2.70578400   -4.87803200    2.31752800
 C                  0.48218900   -0.72770100   -4.07037900
 C                 -0.70090300   -1.35408700   -3.64258200
 C                  1.05462700   -1.16096900   -5.27622000
 C                 -1.28139700   -2.39663800   -4.35798000
 C                  0.47223300   -2.19574700   -6.01098700
 H                  1.96324700   -0.69416800   -5.64083900
 C                 -0.68942400   -2.81866600   -5.55002800
 H                 -2.18755600   -2.85768600   -3.97825300
 H                  0.93104800   -2.51631300   -6.94149700
 H                 -1.13874400   -3.62963600   -6.11531100
 C                  2.88640600    0.88881500   -3.65086300
 C                  3.33705800    2.18088500   -3.96065500
 C                  3.78198200   -0.19178400   -3.73207500
 C                  4.65973700    2.38402200   -4.36106800
 H                  2.66096400    3.02757500   -3.89757900
 C                  5.09726100    0.01570500   -4.14617600
 H                  3.45039400   -1.19742100   -3.49059900
 C                  5.53938300    1.30416000   -4.46143200
 H                  4.99718300    3.38826500   -4.60176300
 H                  5.77847600   -0.82771400   -4.21243900
 H                  6.56571100    1.46455800   -4.77961200
 C                  2.46572900    0.70510600    1.62600000
 O                  2.18844900    1.24566300    0.35903800
 C                  2.33636700   -1.89712400   -0.66635200
 H                  3.20176100   -1.61822400   -1.25825600
 H                  1.59174900   -2.53127600   -1.14428100
 C                  2.22338200   -1.58654300    0.64436200
 H                  1.34982000   -1.95508800    1.17922300
 C                  3.15823900   -0.74452400    1.50624700
 C                  3.26859400    1.68335800    2.46684400
 C                  3.10377600    1.71048700    3.85921700
 C                  4.16254900    2.58352800    1.87310600
 C                  3.83599500    2.60298400    4.64586200
 H                  2.39763200    1.02593700    4.32252900
 C                  4.89332100    3.47768700    2.65773000
 H                  4.27267600    2.58417200    0.79471700
 C                  4.73634800    3.48799100    4.04701200
 H                  3.69660100    2.61158600    5.72404100
 H                  5.58476000    4.16977700    2.18332100
 H                  5.30510400    4.18558800    4.65648300
 H                  1.52537500    0.51744100    2.16077700
 H                 -0.01831200    2.72169100   -1.42489500
 H                  0.33722400    2.43618900    1.10536000
 O                 -1.27760300   -0.96352600   -2.43804300
 C                  4.58125700   -0.65336400    0.93960200
 C                  5.67105400   -1.27627000    1.57123100
 C                  4.84322800    0.06421700   -0.24309400
 C                  6.96522700   -1.18012300    1.05201900
 H                  5.53554700   -1.84555600    2.48339300
 C                  6.13544800    0.16544300   -0.75986500
 H                  4.02901800    0.56828200   -0.74657100
 C                  7.20637900   -0.45659900   -0.11569800
 H                  7.78446300   -1.67270800    1.56958300
 H                  6.29766600    0.73340600   -1.67106700
 H                  8.21320200   -0.37833500   -0.51763500
 C                  3.16155200   -1.39420900    2.91295000
 H                  3.50601400   -2.43396800    2.83555300
 H                  3.85425700   -0.84913500    3.56512400
 O                  1.83767200   -1.35871900    3.45378500
 H                  1.84115200   -1.88370600    4.27053000

-C -H 0
cc-pvtz
****
-O -N -P 0
aug-cc-pvtz
****
-Co     0
S    1   1.00
      7.1760000              1.0000000
S    1   1.00
      2.0090000              1.0000000
S    1   1.00
      0.8055000              1.0000000
S    1   1.00
      0.1070000              1.0000000
S    1   1.00
      0.0375000              1.0000000
P    1   1.00
     21.3900000              1.0000000
P    1   1.00
      2.6500000              1.0000000
P    1   1.00
      0.8619000              1.0000000
P    1   1.00
      0.0800000              1.0000000
P    1   1.00
      0.0230000              1.0000000
D    3   1.00
     39.2500000              0.0361541
     10.7800000              0.1896744
      3.4960000              0.4524981
D    1   1.00
      1.0660000              1.0000000
D    1   1.00
      0.2606000              1.0000000
****

-CO     0
CO-ECP     2     10
d potential
  3
1    434.1076104            -10.0000000
2     78.8402758            -66.7240276
2     19.6037749            -11.7192243
s-d potential
  4
0    151.2307582              3.0000000
1    169.6790026             20.1553110
2     64.9909423            413.3762244
2     12.5076287            133.8727705
p-d potential
  4
0     92.7319924              5.0000000
1    121.1910183              6.1892353
2     48.6265909            326.3215919
2     11.9966971             73.8788970

