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

Cobalt PsynH, added col and Cl nearby

1 4
 Co                 1.42568100    0.12850600   -0.56565700
 P                 -0.95332400    0.00831600    0.13817600
 P                  1.51093500    0.66163100   -3.01514500
 C                 -1.14660500    0.86995400    1.72847600
 C                 -1.57803800    0.24419700    2.90725700
 C                 -0.72481800    2.21999900    1.78037900
 C                 -1.59757400    0.95294500    4.11702700
 H                 -1.89645400   -0.78855900    2.88851400
 C                 -0.74373500    2.91450100    2.98564300
 C                 -1.18260700    2.28463700    4.14963900
 H                 -1.93569200    0.45795400    5.02350700
 H                 -0.41448100    3.95567200    3.00505900
 H                 -1.18691700    2.82675600    5.09496800
 C                  0.66590400    2.25943700   -3.29654600
 C                  0.36014000    2.69005900   -4.60334100
 C                  0.25217300    3.02401900   -2.19334400
 C                 -0.32572000    3.88561300   -4.79031600
 H                  0.64475600    2.08642600   -5.45380000
 C                 -0.44662700    4.21372200   -2.39623900
 C                 -0.72859100    4.64800900   -3.69697700
 H                 -0.55121500    4.22530100   -5.80256000
 H                 -0.78019100    4.79403200   -1.54961400
 H                 -1.26494700    5.58268900   -3.84968600
 C                 -2.08662400    0.83986500   -1.02618900
 C                 -2.96067300    1.88764000   -0.71119100
 C                 -1.99804900    0.41699000   -2.35942100
 C                 -3.70259100    2.50600500   -1.70865500
 H                 -3.05119000    2.22075200    0.32416000
 C                 -2.72095700    1.02991100   -3.37605200
 C                 -3.57094700    2.08980400   -3.04256600
 H                 -4.38319300    3.31458400   -1.46042400
 H                 -2.61985600    0.70311100   -4.40182400
 H                 -4.14353200    2.57273300   -3.82890900
 C                 -1.62190000   -1.67978200    0.33378700
 C                 -0.79387200   -2.78444900    0.08275600
 C                 -2.96099400   -1.88610900    0.70219100
 C                 -1.28840700   -4.07633800    0.22200100
 H                  0.23143800   -2.62695100   -0.23395300
 C                 -3.45115800   -3.17793400    0.84334000
 H                 -3.61417900   -1.03113200    0.88162600
 C                 -2.61524300   -4.27757500    0.60735800
 H                 -0.64200100   -4.93101300    0.02121600
 H                 -4.48839000   -3.34212000    1.12605100
 H                 -3.00378100   -5.28988000    0.70701000
 C                  0.64278300   -0.50299000   -4.14464600
 C                 -0.63484500   -0.98237900   -3.78898900
 C                  1.17041600   -0.90736400   -5.37751700
 C                 -1.34698700   -1.84339200   -4.61839400
 C                  0.45130600   -1.76364400   -6.22376500
 H                  2.15550500   -0.55457500   -5.69519900
 C                 -0.80394400   -2.23273400   -5.84100800
 H                 -2.32620500   -2.19759600   -4.28219900
 H                  0.88623800   -2.06311400   -7.17386200
 H                 -1.36034800   -2.90163500   -6.48020400
 C                  3.18630600    0.77103900   -3.75704800
 C                  3.60823600    1.86792100   -4.51850100
 C                  4.05073600   -0.32023800   -3.56120900
 C                  4.88990100    1.86131800   -5.08645300
 H                  2.95613700    2.71860100   -4.67915000
 C                  5.31759900   -0.31195700   -4.13003700
 H                  3.72409000   -1.17453800   -2.98534800
 C                  5.74543900    0.77620300   -4.88808800
 H                  5.21390800    2.71487100   -5.67972400
 H                  5.97891700   -1.15895600   -3.97402500
 H                  6.74058300    0.78518300   -5.32341700
 C                  2.50533600    0.93848300    1.86039700
 O                  2.45199600    1.33059200    0.50081900
 C                  3.00271200   -1.72025400   -0.19589700
 H                  3.90409400   -1.30223300   -0.63360800
 H                  2.48981900   -2.48215100   -0.78146400
 C                  2.59991200   -1.43318100    1.05828800
 H                  1.70855900   -1.92806400    1.44049800
 C                  3.26545800   -0.46936700    2.02926000
 C                  3.04990200   -1.06954000    3.44027400
 C                  4.07631100   -1.79506000    4.07269100
 C                  1.79063900   -0.98829900    4.07971600
 C                  3.86016800   -2.39904800    5.32343600
 H                  5.06565800   -1.91190100    3.61662800
 C                  1.57278000   -1.59564700    5.31840200
 H                  0.96270500   -0.45439900    3.61276100
 C                  2.61091600   -2.30050100    5.94718900
 H                  4.68335100   -2.95289800    5.79262700
 H                  0.59516200   -1.50298900    5.78530800
 H                  2.44784400   -2.76661100    6.91309300
 C                  4.76072300   -0.29848800    1.67794800
 H                  5.21383800   -1.29742200    1.57281600
 H                  4.84078200    0.20254800    0.72005600
 O                  5.50256700    0.49255700    2.59749200
 H                  5.19936300    0.34756900    3.50934000
 C                  3.09069600    2.03250100    2.72996200
 C                  2.58032800    2.26899300    4.00442300
 C                  4.18893300    2.81113900    2.28426700
 C                  3.19737400    3.21378000    4.85225000
 H                  1.73863300    1.70086500    4.37813900
 C                  4.74736300    3.82140200    3.07935300
 H                  4.60867100    2.61897500    1.31075900
 C                  4.26403300    4.01739000    4.37176400
 H                  2.76893100    3.41755600    5.82610400
 H                  5.57389900    4.41830700    2.69833100
 H                  4.69902800    4.77533300    5.01909600
 H                  1.47513200    0.77161800    2.21432700
 H                  0.45301400    2.67333700   -1.18773700
 H                 -0.36436500    2.70683700    0.87913100
 O                 -1.13475300   -0.64547000   -2.54054800
 C                  4.12892400    3.56085900   -1.49238000
 C                  4.37419800    4.62101500   -2.35515800
 C                  3.64032000    5.80825800   -2.26119100
 C                  2.68303100    5.92033400   -1.23386800
 C                  2.42645200    4.84517900   -0.38840800
 H                  5.15510100    4.51452500   -3.09849700
 H                  2.11977700    6.83997100   -1.10508900
 C                  1.42690300    4.87441700    0.72690300
 H                  1.58539600    4.04800100    1.42562600
 H                  1.51943300    5.81345000    1.27378100
 H                  0.40700800    4.81868400    0.33353300
 C                  4.92987400    2.29773800   -1.44685700
 H                  4.30173800    1.44048900   -1.20505200
 H                  5.44153200    2.12475200   -2.39240400
 H                  5.70293500    2.38987300   -0.66247300
 C                  3.85524800    6.94027400   -3.22660400
 H                  3.80097000    7.90858300   -2.71823400
 H                  4.81780300    6.84757200   -3.73699200
 H                  3.06453500    6.92277600   -3.98858300
 N                  3.13266600    3.70102400   -0.58277300
 H                  2.87498200    2.85154200   -0.02831300
 Cl                 5.00410700    1.53900000    5.96207300

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

-Co 0
LANL2DZ

