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

single point - Cobalt SM (Z/eq) DPEPhosIso1

1 4
 Co                 1.02322300    0.05069400   -0.58926100
 P                 -1.26381700    0.25186900    0.17131700
 P                  1.25394800    0.80967900   -2.85865600
 C                 -1.66195600    1.56697100    1.37814400
 C                 -2.80582000    1.52155200    2.19330000
 C                 -0.78208900    2.65590200    1.48403000
 C                 -3.06493400    2.55647400    3.09238500
 H                 -3.48694000    0.67802300    2.12814700
 C                 -1.04663400    3.69128200    2.38313600
 C                 -2.18779000    3.64207300    3.18704600
 H                 -3.95133500    2.51590000    3.71925500
 H                 -0.35857700    4.52868800    2.45860700
 H                 -2.39253400    4.44493700    3.88982000
 C                  0.22321900    2.21958900   -3.39562100
 C                 -0.10940600    2.44208900   -4.74118600
 C                 -0.27084200    3.08156800   -2.40605200
 C                 -0.92197600    3.52184300   -5.08773000
 H                  0.25639900    1.76877400   -5.51149000
 C                 -1.08500800    4.15954300   -2.75628100
 C                 -1.41042400    4.37975100   -4.09680600
 H                 -1.17969900    3.69027400   -6.12972900
 H                 -1.47267300    4.81656300   -1.98271400
 H                 -2.05012100    5.21446100   -4.37004300
 C                 -2.39237400    0.51548600   -1.25013400
 C                 -3.45987400    1.42386100   -1.22686700
 C                 -2.08666800   -0.12161000   -2.46636500
 C                 -4.19107600    1.69686400   -2.38313100
 H                 -3.70613900    1.94016200   -0.30495300
 C                 -2.80707500    0.14417200   -3.62898400
 C                 -3.85863400    1.06061200   -3.58044600
 H                 -5.00875600    2.41048700   -2.34974300
 H                 -2.54673100   -0.35099200   -4.55773800
 H                 -4.41575300    1.27599100   -4.48768300
 C                 -1.78592000   -1.31080600    0.98151300
 C                 -1.41091300   -1.53457300    2.31764800
 C                 -2.42721700   -2.33400200    0.26943000
 C                 -1.67525400   -2.75984100    2.92947000
 H                 -0.91703900   -0.75012400    2.88474600
 C                 -2.68690500   -3.56105900    0.88554300
 H                 -2.72482400   -2.18256900   -0.76285000
 C                 -2.31083100   -3.77834100    2.21277700
 H                 -1.38199500   -2.91933100    3.96348100
 H                 -3.18702200   -4.34625500    0.32514800
 H                 -2.51333200   -4.73393000    2.68826800
 C                  0.76785000   -0.58210800   -3.95249900
 C                 -0.34846700   -1.35423500   -3.58951400
 C                  1.48646400   -0.95577900   -5.09672600
 C                 -0.73550700   -2.47243100   -4.32033000
 C                  1.09912900   -2.06783800   -5.84768800
 H                  2.35901200   -0.38126900   -5.39228400
 C                 -0.00624800   -2.82750500   -5.45808000
 H                 -1.59724800   -3.04706000   -3.99543500
 H                  1.66668400   -2.34365700   -6.73153400
 H                 -0.30218200   -3.69870600   -6.03495200
 C                  2.98380000    1.19501400   -3.31951800
 C                  3.34409600    2.34214400   -4.04062400
 C                  3.98710200    0.31784100   -2.86916200
 C                  4.69034900    2.60564200   -4.30842800
 H                  2.58166300    3.02962500   -4.39326900
 C                  5.32789200    0.58332100   -3.14344600
 H                  3.72746300   -0.57334300   -2.30631500
 C                  5.68226800    1.72970100   -3.86194600
 H                  4.96070500    3.49710200   -4.86785300
 H                  6.09205300   -0.10233500   -2.78818600
 H                  6.72772200    1.93987500   -4.07056100
 C                  2.34092000    1.18990900    1.74732700
 O                  2.23532300    1.31785200    0.51048500
 C                  1.62626000   -1.90777400   -0.54968500
 H                  2.46527400   -1.97668300   -1.24165400
 H                  0.73925900   -2.44109600   -0.89890500
 C                  1.92393700   -2.04318800    0.84941300
 H                  1.10877600   -2.40773600    1.47058000
 C                  3.11757100   -1.71635300    1.46497600
 C                  3.29567900   -1.84219500    2.92350400
 C                  4.57570000   -1.98196500    3.50277800
 C                  2.19333900   -1.79991700    3.80937400
 C                  4.74409800   -2.07196400    4.88479400
 H                  5.45510800   -2.03829600    2.86861600
 C                  2.36138900   -1.89691600    5.18797200
 H                  1.19225100   -1.66659700    3.41365400
 C                  3.64053800   -2.02921900    5.73971500
 H                  5.74561800   -2.18027000    5.29326500
 H                  1.48972200   -1.85510900    5.83678500
 H                  3.77317600   -2.09583800    6.81596000
 C                  4.25786700   -1.20624200    0.60311800
 H                  3.89744200   -0.37278000   -0.00937000
 H                  5.07326800   -0.80929500    1.21909800
 O                  4.76446100   -2.15104500   -0.35282900
 H                  4.95125900   -2.97559300    0.12610500
 C                  3.48377700    1.66359100    2.50299700
 C                  3.50473300    1.47209800    3.89705000
 C                  4.58618600    2.25300600    1.85114300
 C                  4.61752700    1.86682300    4.63392300
 H                  2.66196200    0.99306400    4.38569300
 C                  5.69194800    2.64697700    2.59356200
 H                  4.55912100    2.38185900    0.77366600
 C                  5.70763200    2.45336700    3.98296900
 H                  4.64164000    1.70811600    5.70763200
 H                  6.54633100    3.09981800    2.09930300
 H                  6.57859800    2.75657600    4.55757500
 H                  1.53548600    0.70015500    2.31230000
 H                 -0.03246800    2.89467100   -1.36306500
 H                  0.11401100    2.68775900    0.87208200
 O                 -1.04220300   -1.03522800   -2.42229100

-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

