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

Cobalt PantiH, added Cl nearby TS

1 4
 Co                 1.10191200    0.27943300   -0.55189400
 P                 -1.29868900   -0.12125300    0.15850100
 P                  1.19685500    0.36438100   -3.06316100
 C                 -1.60017900    0.67523400    1.76992300
 C                 -2.48659700    0.16369400    2.72776700
 C                 -0.88480200    1.85029200    2.04238100
 C                 -2.65092900    0.83264600    3.94264200
 H                 -3.03469200   -0.75324400    2.53510700
 C                 -1.05778900    2.52220400    3.25129400
 C                 -1.94133300    2.00832200    4.20537100
 H                 -3.33179600    0.43069500    4.68727600
 H                 -0.50004200    3.43299700    3.45088500
 H                 -2.07192300    2.51897800    5.15520700
 C                  0.42640700    1.94633800   -3.55957900
 C                  0.09659900    2.23873900   -4.89360700
 C                  0.10833500    2.86731200   -2.55443000
 C                 -0.52673900    3.44624400   -5.20650000
 H                  0.31696300    1.52310100   -5.68025400
 C                 -0.51872400    4.07340500   -2.86709000
 C                 -0.83511700    4.36317500   -4.19571100
 H                 -0.77914200    3.66928700   -6.23920800
 H                 -0.75852100    4.77739700   -2.07651500
 H                 -1.32908500    5.29820600   -4.44442900
 C                 -2.38916100    0.71643900   -1.03967600
 C                 -3.19589600    1.82354400   -0.75333500
 C                 -2.28522800    0.27826100   -2.37030600
 C                 -3.86786400    2.48218200   -1.78562200
 H                 -3.28787000    2.17439400    0.26997400
 C                 -2.94839900    0.92137700   -3.40962900
 C                 -3.73642400    2.03464600   -3.10329200
 H                 -4.48946600    3.34369000   -1.56170000
 H                 -2.84238200    0.57322700   -4.43088100
 H                 -4.25007000    2.55383300   -3.90703700
 C                 -1.86634000   -1.84989200    0.31703500
 C                 -1.10714200   -2.73017800    1.10404000
 C                 -3.03485100   -2.30851900   -0.30971300
 C                 -1.51085100   -4.05798900    1.25269500
 H                 -0.22832600   -2.38868300    1.64092000
 C                 -3.42976000   -3.63847800   -0.15934400
 H                 -3.63940500   -1.63540700   -0.90888800
 C                 -2.66723700   -4.51594400    0.61657900
 H                 -0.92160700   -4.72675100    1.87342800
 H                 -4.33623200   -3.98689200   -0.64667700
 H                 -2.97771900   -5.55083100    0.73095500
 C                  0.30626300   -0.86975700   -4.10132100
 C                 -0.99100200   -1.25554500   -3.73619300
 C                  0.83722600   -1.38956900   -5.29189400
 C                 -1.74879400   -2.12956300   -4.50846700
 C                  0.08466500   -2.26185500   -6.08118100
 H                  1.83771300   -1.11290800   -5.60610500
 C                 -1.20532700   -2.63049600   -5.69290200
 H                 -2.74076100   -2.41201300   -4.17075800
 H                  0.51102200   -2.65507600   -6.99912300
 H                 -1.78722600   -3.31368700   -6.30423900
 C                  2.88701300    0.31107100   -3.75866500
 C                  3.36396600    1.24984900   -4.68370700
 C                  3.70202100   -0.76923600   -3.38114600
 C                  4.64420200    1.10770400   -5.22315400
 H                  2.74742800    2.09137600   -4.98109300
 C                  4.97586300   -0.91159800   -3.93070900
 H                  3.33834000   -1.50707100   -2.67088200
 C                  5.44980000    0.02915800   -4.85026300
 H                  5.00962700    1.84018100   -5.93737500
 H                  5.59878100   -1.75007400   -3.63397300
 H                  6.44403200   -0.07952500   -5.27425500
 C                  2.72294600    1.48531600    1.53136900
 O                  2.40733900    1.65835100    0.12353500
 C                  2.37331700   -1.73947200    0.20040700
 H                  3.24727300   -1.80598800   -0.43923300
 H                  1.55786500   -2.43205600    0.00051700
 C                  2.33215100   -0.93949000    1.28844400
 H                  1.44075900   -0.98760600    1.91837300
 C                  3.36192000    0.06211100    1.78940500
 C                  3.52220600    2.64992800    2.07927600
 C                  3.02270600    3.33915400    3.19364100
 C                  4.73687300    3.06513000    1.51584500
 C                  3.71602300    4.42573100    3.73147900
 H                  2.08506400    3.02150100    3.64335600
 C                  5.42601200    4.15544600    2.04665600
 H                  5.14432400    2.53643800    0.66433000
 C                  4.91833400    4.83997400    3.15486500
 H                  3.31418400    4.94703700    4.59600300
 H                  6.36341500    4.46875000    1.59486700
 H                  5.45789000    5.68839900    3.56699400
 H                  1.76916000    1.47048400    2.06855400
 H                  0.34544000    2.64109400   -1.52000300
 H                 -0.18931500    2.23035300    1.30257000
 O                 -1.47533500   -0.82833900   -2.51247400
 C                  4.75025300   -0.10541200    1.16466400
 C                  5.87513200   -0.41844300    1.94591600
 C                  4.95270500    0.08444500   -0.21319800
 C                  7.14915900   -0.50082400    1.37875300
 H                  5.76970900   -0.61938000    3.00411500
 C                  6.22506200    0.01135200   -0.78191800
 H                  4.11046000    0.32027100   -0.84728900
 C                  7.33488400   -0.27609600    0.01411200
 H                  7.99852300   -0.74154400    2.01277000
 H                  6.34139200    0.18249500   -1.84794000
 H                  8.32784000   -0.33247200   -0.42398900
 C                  3.38332700   -0.09958800    3.34307400
 H                  4.14008100    0.57177000    3.76082800
 H                  2.41138800    0.22195000    3.73874400
 O                  3.66338300   -1.42242400    3.74621600
 H                  2.79303000   -1.84367800    3.93739800
 C                  3.58094400    4.21950200   -1.76256200
 C                  1.81235000    5.00869000   -0.44251500
 C                  1.91459900    6.27085000   -1.01704500
 C                  2.86595200    6.52076700   -2.01393300
 H                  2.51037500    2.73609500   -0.26533300
 H                  1.24382600    7.05944900   -0.68978700
 C                  2.95964100    7.87104300   -2.66893900
 H                  2.09316100    8.03753900   -3.32194400
 H                  2.95641000    8.67080900   -1.91977900
 H                  3.86474700    7.96368500   -3.27624500
 C                  4.52325200    3.09981500   -2.09515100
 H                  4.91283500    3.20558400   -3.10982700
 H                  5.37634800    3.10952600   -1.40703600
 H                  4.03764000    2.12900800   -2.00881000
 C                  0.76238500    4.70121300    0.58590500
 H                 -0.05097800    4.11696100    0.13946700
 H                  1.18089600    4.12538500    1.41534300
 H                  0.32731600    5.61971700    0.98783400
 H                  4.46659900    5.60518400   -3.13838900
 N                  2.63564400    4.00182800   -0.82211300
 C                  3.70377200    5.46535000   -2.37855000
 Cl                 0.69827400   -2.26366300    4.30097300

-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

