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

Cobalt - PantiH Col with Cl

1 4
 Co                 1.14599800    0.30202600   -0.53262900
 P                 -1.24530600    0.02608100    0.11559100
 P                  1.29617300    0.58667000   -3.02110000
 C                 -1.51295500    0.78071800    1.75251800
 C                 -2.26888100    0.18398500    2.77061300
 C                 -0.89473200    2.01953300    1.97916500
 C                 -2.39932300    0.83171800    4.00163500
 H                 -2.74275800   -0.77943700    2.61280600
 C                 -1.04009600    2.67150400    3.20222900
 C                 -1.79039200    2.07113400    4.21855800
 H                 -2.97630600    0.36309700    4.79342600
 H                 -0.56085100    3.63286700    3.36392400
 H                 -1.89633900    2.56586400    5.17978100
 C                  0.46445100    2.16099800   -3.45569100
 C                  0.24746200    2.52310000   -4.79688300
 C                 -0.03826800    2.97885800   -2.43406700
 C                 -0.42652900    3.70496300   -5.10146600
 H                  0.59338900    1.87762600   -5.59917600
 C                 -0.71996700    4.15658800   -2.74185400
 C                 -0.90682700    4.52478700   -4.07509200
 H                 -0.58613600    3.98073200   -6.13994100
 H                 -1.10981500    4.77675600   -1.94103700
 H                 -1.44012200    5.44012400   -4.31582700
 C                 -2.35382300    0.89701900   -1.04143700
 C                 -3.22119700    1.94170300   -0.70621400
 C                 -2.24018400    0.51389900   -2.38795900
 C                 -3.94489800    2.59209500   -1.70873400
 H                 -3.32430000    2.25000000    0.32945300
 C                 -2.95240200    1.14839600   -3.39849700
 C                 -3.80386900    2.19863300   -3.04277000
 H                 -4.61604400    3.40469000   -1.44852400
 H                 -2.83535700    0.84328900   -4.43234900
 H                 -4.36006500    2.71217800   -3.82145300
 C                 -1.82718200   -1.70634400    0.21716000
 C                 -1.09574500   -2.61956300    0.99454000
 C                 -2.97275400   -2.14242100   -0.46661900
 C                 -1.50075900   -3.95291900    1.07381000
 H                 -0.23982800   -2.30564800    1.58093400
 C                 -3.36874900   -3.47801100   -0.38576500
 H                 -3.56106900   -1.44827000   -1.05744900
 C                 -2.63133000   -4.38675600    0.37778100
 H                 -0.93190800   -4.64496800    1.68776500
 H                 -4.25718800   -3.80582600   -0.91832100
 H                 -2.94176700   -5.42620400    0.43724600
 C                  0.43194800   -0.61438600   -4.11413500
 C                 -0.88777300   -0.95860300   -3.79059400
 C                  0.98302200   -1.13260800   -5.29416200
 C                 -1.65525300   -1.79163000   -4.59661800
 C                  0.22187300   -1.96592200   -6.11780500
 H                  2.00129600   -0.88358900   -5.57372700
 C                 -1.09226700   -2.29148700   -5.77346300
 H                 -2.66563600   -2.04653900   -4.29363800
 H                  0.65947300   -2.36167500   -7.02933700
 H                 -1.67928000   -2.94359600   -6.41321000
 C                  2.99531300    0.60727300   -3.69201200
 C                  3.46792100    1.58953100   -4.57346600
 C                  3.83390100   -0.45992800   -3.32701600
 C                  4.76318900    1.49905500   -5.08713700
 H                  2.84034800    2.42778600   -4.85461900
 C                  5.12389600   -0.54927300   -3.84981000
 H                  3.47923500   -1.22591100   -2.64195800
 C                  5.59073600    0.43211900   -4.72963300
 H                  5.12410700    2.26519000   -5.76749600
 H                  5.76404700   -1.37823200   -3.56312100
 H                  6.59720300    0.36520000   -5.13271600
 C                  2.62167300    1.46654200    1.73161800
 O                  2.37000200    1.68742200    0.31371900
 C                  2.40795500   -1.72589100    0.22831800
 H                  3.30733000   -1.77729600   -0.37716400
 H                  1.60596800   -2.42107400   -0.01323700
 C                  2.31005400   -0.94608500    1.32933900
 H                  1.38866800   -1.02049000    1.91123500
 C                  3.29222200    0.05068700    1.92798900
 C                  3.35305300    2.63316100    2.35593900
 C                  2.78321300    3.25693900    3.47503200
 C                  4.56885300    3.11697500    1.85249300
 C                  3.41233500    4.34780900    4.07884200
 H                  1.84195000    2.88717500    3.87298200
 C                  5.19252400    4.21195900    2.45021300
 H                  5.02693600    2.64005200    0.99584500
 C                  4.61701300    4.83092200    3.56382700
 H                  2.95827900    4.81995300    4.94576300
 H                  6.13147600    4.58063900    2.04607400
 H                  5.10570300    5.68376200    4.02719300
 H                  1.63969400    1.39761400    2.20931700
 H                  0.06747400    2.68778300   -1.39354300
 H                 -0.29868400    2.46567000    1.19106600
 O                 -1.36262600   -0.53107500   -2.56346200
 C                  4.70750900   -0.02871300    1.35111000
 C                  5.82516400   -0.25824300    2.17050400
 C                  4.94195600    0.17972700   -0.01836200
 C                  7.11994900   -0.24493900    1.64677600
 H                  5.69994100   -0.46571300    3.22514600
 C                  6.23409800    0.20145300   -0.54471800
 H                  4.10723400    0.35943700   -0.68012600
 C                  7.33422800   -0.00472300    0.28885900
 H                  7.96300300   -0.42202300    2.30936100
 H                  6.37309400    0.38664900   -1.60566700
 H                  8.34289300    0.01453100   -0.11511200
 C                  3.25784500   -0.20352100    3.46995800
 H                  3.95108700    0.48949100    3.95659800
 H                  2.25141000    0.03384900    3.83830700
 O                  3.60837600   -1.52602900    3.80764000
 H                  2.76031300   -2.00990200    3.94321300
 H                  2.48408800    2.68605400   -0.01048300
 C                  3.52932700    4.25004200   -1.70438500
 C                  3.51154200    5.36282500   -2.54421600
 C                  2.56266100    6.37359600   -2.35693400
 C                  1.67950300    6.22750700   -1.28466700
 C                  1.72209200    5.08210100   -0.48936000
 H                  4.24500700    5.43873600   -3.34163000
 H                  0.93976800    6.99442600   -1.07414400
 C                  0.72536200    4.88490800    0.61866600
 H                  0.42539400    5.84475300    1.04997400
 H                 -0.18303700    4.40549300    0.23326100
 H                  1.13804100    4.26257900    1.41613100
 C                  2.47357600    7.55131300   -3.28813700
 H                  1.76348300    7.33258500   -4.09728100
 H                  2.11446200    8.44678200   -2.77053900
 H                  3.44017700    7.77513100   -3.75065200
 C                  4.58914700    3.19392100   -1.84067500
 H                  5.11119000    3.27711100   -2.79576300
 H                  5.32976500    3.29967300   -1.04014100
 H                  4.16756100    2.19193800   -1.76529500
 N                  2.61858100    4.09884600   -0.71464300
 Cl                 0.68601700   -2.56216800    4.21905900

-C -H 0
cc-pvtz
****
-O -N -P -Cl 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

