%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 Psyn rotate OH TS

1 4
 Co                 1.17765200    0.26931600   -0.55846800
 P                 -1.14308500    0.37386800    0.17584100
 P                  1.38182400    0.78578300   -2.90423900
 C                 -1.47403100    1.74425100    1.33152400
 C                 -2.67277100    1.84124900    2.05980900
 C                 -0.45727500    2.69212700    1.53472600
 C                 -2.85954300    2.89284700    2.95624100
 H                 -3.44974900    1.09238600    1.93367400
 C                 -0.64956200    3.74029400    2.43804200
 C                 -1.85064400    3.84453600    3.14262000
 H                 -3.78875100    2.96651200    3.51426400
 H                  0.14343100    4.46596300    2.59542200
 H                 -1.99851000    4.65886600    3.84656100
 C                  0.20976100    2.11029700   -3.36104300
 C                 -0.31759300    2.25782200   -4.65225300
 C                 -0.16987300    3.00296600   -2.34729500
 C                 -1.20490900    3.30016600   -4.92443300
 H                 -0.04946700    1.55478700   -5.43582200
 C                 -1.05798100    4.04263600   -2.62277200
 C                 -1.57421100    4.19204900   -3.91270900
 H                 -1.61505600    3.41116500   -5.92436700
 H                 -1.35514400    4.72281100   -1.82948800
 H                 -2.27176500    4.99672600   -4.12808200
 C                 -2.30300100    0.48681000   -1.23201000
 C                 -3.43441600    1.31313200   -1.24911200
 C                 -1.98103300   -0.23244900   -2.39724900
 C                 -4.22361100    1.41616100   -2.39477700
 H                 -3.68829400    1.89660000   -0.37100800
 C                 -2.76102000   -0.13851300   -3.54692500
 C                 -3.88370100    0.69119200   -3.53797000
 H                 -5.09300100    2.06639900   -2.39535000
 H                 -2.49209200   -0.69434100   -4.43762700
 H                 -4.48848700    0.77147300   -4.43652600
 C                 -1.58383400   -1.15115100    1.09481000
 C                 -1.12120100   -1.29019300    2.41472500
 C                 -2.24620900   -2.22327300    0.48022400
 C                 -1.31789500   -2.48515100    3.10661900
 H                 -0.60825900   -0.46601700    2.90291700
 C                 -2.44179000   -3.41710000    1.17882200
 H                 -2.61645200   -2.13320200   -0.53585100
 C                 -1.97599600   -3.55258000    2.48875400
 H                 -0.94710100   -2.58419900    4.12249100
 H                 -2.96140000   -4.24055500    0.69650800
 H                 -2.12626100   -4.48431000    3.02692000
 C                  0.90945800   -0.67237000   -3.91064400
 C                 -0.18558800   -1.43696100   -3.47337600
 C                  1.62243600   -1.11973500   -5.03134900
 C                 -0.56246500   -2.61349600   -4.11125900
 C                  1.24344800   -2.29117600   -5.69173400
 H                  2.47980900   -0.55500900   -5.38360300
 C                  0.15648000   -3.03766600   -5.23223800
 H                 -1.40657900   -3.17941000   -3.73013300
 H                  1.80410700   -2.62236400   -6.56069500
 H                 -0.13211500   -3.95312500   -5.73993900
 C                  3.02920200    1.31695100   -3.47673700
 C                  3.23073700    2.00150000   -4.68712800
 C                  4.12067300    1.03015000   -2.64291100
 C                  4.52001600    2.37850100   -5.06348500
 H                  2.38813500    2.24796300   -5.32646000
 C                  5.40869100    1.40701600   -3.02997000
 H                  3.97219100    0.52444900   -1.69425700
 C                  5.60940900    2.07837900   -4.23801700
 H                  4.67460400    2.90950700   -5.99875600
 H                  6.24970400    1.17876900   -2.38120700
 H                  6.61136700    2.37619700   -4.53528800
 C                  2.58586400    0.57513500    1.77743800
 O                  2.39444600    1.14548200    0.50934100
 C                  2.17764000   -1.92935200   -0.64590500
 H                  3.01392800   -1.72412300   -1.29924900
 H                  1.33852100   -2.47406400   -1.07520600
 C                  2.15474900   -1.63019900    0.67736800
 H                  1.24372400   -1.91622600    1.20434800
 C                  3.14668700   -0.93328200    1.61119200
 C                  3.03499700   -1.78691100    2.90645800
 C                  3.72981000   -3.00750300    2.99535700
 C                  2.12668900   -1.49759400    3.93687100
 C                  3.57675800   -3.86105400    4.08903900
 H                  4.38707800   -3.32160400    2.19069300
 C                  1.97514700   -2.34262600    5.03937600
 H                  1.50697900   -0.61305800    3.89207400
 C                  2.70697600   -3.52654900    5.12829100
 H                  4.13509500   -4.79293300    4.12068000
 H                  1.27502200   -2.07101400    5.82507200
 H                  2.59009800   -4.18552100    5.98420300
 C                  4.64214000   -0.87088300    1.13971800
 H                  5.06348400    0.07562500    1.47477100
 H                  5.22560200   -1.64847200    1.63571200
 O                  4.89133100   -0.92478300   -0.26308100
 H                  4.94054800   -1.85948400   -0.51832100
 C                  3.47272100    1.51089700    2.60264500
 C                  3.41729200    1.56842900    4.00238400
 C                  4.35333600    2.38049800    1.93777600
 C                  4.23245600    2.45060800    4.71708900
 H                  2.73389300    0.93288700    4.55173000
 C                  5.17026800    3.26016100    2.64949600
 H                  4.38240300    2.36505700    0.85352100
 C                  5.11633400    3.29707200    4.04533200
 H                  4.16918400    2.47713000    5.80204100
 H                  5.84565200    3.92086300    2.11159300
 H                  5.74954400    3.98306600    4.60193900
 H                  1.61457500    0.49489400    2.28777200
 H                  0.21428400    2.86445400   -1.33968000
 H                  0.49302100    2.59050700    1.01633200
 O                 -0.85268700   -1.04071300   -2.31315200

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

-Co 0
LANL2DZ

