%nprocshared=24
%mem=120GB
#p opt=(calcfc,noeigentest,ts,maxstep=3) freq=NoRaman ub3lyp/genecp scrf=(smd,solvent=thf) nosymm scf=xqc EmpiricalDispersion=GD3 Int=Grid=UltraFine

Cobalt PantiH, added col and Cl nearby TS

1 4
 Co                 1.08308100    0.29912600   -0.74278600
 P                 -1.29343700    0.24006300    0.05995500
 P                  1.20979800    0.57465900   -3.20804000
 C                 -1.71580800    1.29118200    1.48692000
 C                 -2.92255200    1.12998000    2.19118300
 C                 -0.79063400    2.25059300    1.91000000
 C                 -3.19137800    1.93877700    3.29440700
 H                 -3.64113600    0.37694700    1.88200900
 C                 -1.05985500    3.05787100    3.01728700
 C                 -2.26222900    2.90098100    3.70882600
 H                 -4.12506600    1.81570100    3.83556900
 H                 -0.33341200    3.80017900    3.33486100
 H                 -2.47788000    3.52295600    4.57296100
 C                  0.19881300    2.05243300   -3.56340800
 C                 -0.40246900    2.27036400   -4.81199700
 C                  0.04394100    3.00144600   -2.54282200
 C                 -1.14484000    3.43115400   -5.02937800
 H                 -0.29395900    1.53736600   -5.60610900
 C                 -0.69323100    4.16423900   -2.76398800
 C                 -1.29061200    4.37670900   -4.00898500
 H                 -1.61409200    3.59633200   -5.99500200
 H                 -0.80159600    4.89517100   -1.96804800
 H                 -1.87196100    5.27720000   -4.18552300
 C                 -2.47119300    0.65128700   -1.27074100
 C                 -3.48780300    1.60749900   -1.15304300
 C                 -2.26771000    0.03277400   -2.51437200
 C                 -4.28082300    1.92915500   -2.25544100
 H                 -3.65330200    2.10785100   -0.20481700
 C                 -3.05084700    0.34121100   -3.62179800
 C                 -4.05959600    1.29729200   -3.48079600
 H                 -5.06553400    2.67278900   -2.15713000
 H                 -2.87446100   -0.14357500   -4.57511900
 H                 -4.67080600    1.55002800   -4.34219300
 C                 -1.69726800   -1.45019700    0.66263600
 C                 -1.23112600   -1.81422000    1.93913900
 C                 -2.40398600   -2.38934800   -0.10155100
 C                 -1.44336500   -3.10282300    2.42774200
 H                 -0.72411200   -1.08524800    2.56550800
 C                 -2.61665800   -3.67775600    0.39457600
 H                 -2.80257500   -2.12405900   -1.07276800
 C                 -2.13033500   -4.04083900    1.65216600
 H                 -1.07896600   -3.37018700    3.41550500
 H                 -3.16972700   -4.39582600   -0.20442100
 H                 -2.29536600   -5.04525000    2.03143800
 C                  0.47513100   -0.79397300   -4.18300000
 C                 -0.71263400   -1.37291300   -3.71401300
 C                  1.03994500   -1.30509500   -5.36115200
 C                 -1.32225900   -2.44057500   -4.36277300
 C                  0.42999700   -2.36726300   -6.03188900
 H                  1.95590000   -0.87812700   -5.75479100
 C                 -0.74324200   -2.93763800   -5.53267400
 H                 -2.23336800   -2.86519600   -3.95375900
 H                  0.87750900   -2.75187900   -6.94324400
 H                 -1.21039100   -3.77005400   -6.05009600
 C                  2.83537400    0.85782500   -3.99330800
 C                  3.10372500    2.00963400   -4.74699700
 C                  3.82664900   -0.12798700   -3.85286100
 C                  4.34896800    2.16710800   -5.35921200
 H                  2.34996300    2.78107200   -4.86165300
 C                  5.06368500    0.03019600   -4.47721500
 H                  3.62914500   -1.02674600   -3.27540200
 C                  5.32786600    1.17986300   -5.22840500
 H                  4.55034300    3.06210400   -5.94099900
 H                  5.81970700   -0.74301800   -4.37655000
 H                  6.29317500    1.30290900   -5.71103500
 C                  2.58903800    1.12988000    1.55948600
 O                  2.31063600    1.53976700    0.19857900
 C                  2.10061200   -1.89659500   -0.25923600
 H                  2.97156100   -1.97200000   -0.90242200
 H                  1.22593900   -2.48161700   -0.53958900
 C                  2.09731200   -1.21043400    0.90591200
 H                  1.18110500   -1.26176300    1.49481100
 C                  3.16597300   -0.35092100    1.57983400
 C                  3.39497300    2.17898100    2.28989600
 C                  2.82668400    2.78856600    3.41781300
 C                  4.66344700    2.59250600    1.85805200
 C                  3.51060900    3.79407000    4.10454000
 H                  1.83806800    2.48227500    3.75204000
 C                  5.34357700    3.60109000    2.54056400
 H                  5.11890300    2.13003500    0.99200900
 C                  4.77055600    4.20456300    3.66402300
 H                  3.05638900    4.25838200    4.97554800
 H                  6.32382600    3.91614200    2.19336800
 H                  5.30310600    4.99132700    4.19127600
 H                  1.62057000    1.05752200    2.06511800
 H                  0.50530900    2.83699300   -1.57465900
 H                  0.13714900    2.36336000    1.36603400
 O                 -1.23769700   -0.89363700   -2.52119500
 C                  4.56013200   -0.46707700    0.96252000
 C                  5.68690300   -0.78877700    1.73755000
 C                  4.76654600   -0.19383500   -0.39869200
 C                  6.96560700   -0.81299800    1.17833600
 H                  5.57897100   -1.04254300    2.78361200
 C                  6.04371900   -0.21387900   -0.96113400
 H                  3.92776800    0.07289100   -1.02786800
 C                  7.15348000   -0.51888200   -0.17307400
 H                  7.81666200   -1.06239400    1.80633200
 H                  6.16485200    0.02394000   -2.01323800
 H                  8.14967500   -0.53158600   -0.60663500
 C                  3.13690700   -0.76514000    3.07203400
 H                  3.86334800   -0.16718000    3.63633700
 H                  2.14067900   -0.53908500    3.48097500
 O                  3.41116200   -2.15718100    3.15543900
 H                  3.42245600   -2.39966500    4.09643500
 C                  3.80109600    4.03567100   -1.59775400
 C                  2.04395700    4.97434100   -0.37436600
 C                  2.21415000    6.19463000   -1.02043100
 C                  3.19254400    6.34480900   -2.00995000
 H                  2.56129900    2.59896700   -0.10207700
 H                  1.57279400    7.02880800   -0.75202700
 C                  3.36171800    7.64860700   -2.73914000
 H                  2.44762500    7.90129800   -3.29082200
 H                  3.54647700    8.46756700   -2.03362000
 H                  4.19239200    7.60971600   -3.44972100
 C                  4.70727800    2.86560600   -1.83072400
 H                  5.23423400    2.95726000   -2.78202700
 H                  5.45519700    2.80466800   -1.03268400
 H                  4.14932300    1.93270300   -1.83015500
 C                  0.96420900    4.79406200    0.65129500
 H                  0.09843600    4.28698900    0.20967800
 H                  1.32189700    4.20106800    1.49678500
 H                  0.62054100    5.76114100    1.02839100
 H                  4.77792100    5.29386600   -3.03196300
 N                  2.82052100    3.90390900   -0.67411700
 C                  3.99224700    5.23459600   -2.28527000
 Cl                 3.57498458   -2.67762944    5.83727974

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

-Co 0
LANL2DZ

