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

Cobalt - PantiH Col after proton transfer

1 4
 Co                 1.07816800    0.36826800   -0.70333300
 P                 -1.26567500    0.24828900    0.10676700
 P                  1.27256500    0.74215700   -3.14431200
 C                 -1.67492400    1.23856000    1.58009100
 C                 -2.81911000    0.98261500    2.35629000
 C                 -0.82476600    2.29357400    1.92714000
 C                 -3.09633800    1.78651800    3.46162800
 H                 -3.48326700    0.16247400    2.10126100
 C                 -1.10553800    3.09979300    3.03154600
 C                 -2.24277500    2.84345000    3.79999800
 H                 -3.98026200    1.58789400    4.06076300
 H                 -0.43649200    3.91564500    3.28860100
 H                 -2.46588100    3.46239200    4.66435800
 C                  0.27245900    2.23152300   -3.48334800
 C                 -0.08939700    2.59860700   -4.79034500
 C                 -0.17560300    2.99895900   -2.39831500
 C                 -0.86856500    3.73527100   -5.00197000
 H                  0.23283800    1.99667200   -5.63549100
 C                 -0.95519600    4.13555700   -2.61408600
 C                 -1.29923100    4.50466700   -3.91598700
 H                 -1.14480100    4.01802600   -6.01364000
 H                 -1.29719300    4.72388500   -1.76790200
 H                 -1.90947600    5.38707200   -4.08595400
 C                 -2.42827500    0.76495500   -1.20308700
 C                 -3.43469100    1.71998800   -1.00948900
 C                 -2.21418100    0.26433700   -2.49877900
 C                 -4.20136100    2.16405900   -2.08716900
 H                 -3.61088600    2.12656400   -0.01923800
 C                 -2.96582800    0.70318600   -3.58388100
 C                 -3.95962700    1.66062100   -3.36698000
 H                 -4.97764900    2.90601800   -1.92850500
 H                 -2.77612800    0.31663900   -4.57859500
 H                 -4.54475400    2.01352600   -4.21102400
 C                 -1.69983100   -1.47120200    0.58448400
 C                 -1.26062900   -1.94252100    1.83429100
 C                 -2.40983600   -2.33534700   -0.26200300
 C                 -1.50601700   -3.26063000    2.21838400
 H                 -0.74910200   -1.27717200    2.52354400
 C                 -2.65485300   -3.65348500    0.12896600
 H                 -2.78567600   -1.98981700   -1.21701800
 C                 -2.19792100   -4.12183600    1.36264200
 H                 -1.16263700   -3.61022700    3.18788300
 H                 -3.21058800   -4.31186500   -0.53275700
 H                 -2.38917000   -5.14879600    1.66055100
 C                  0.54088300   -0.56438900   -4.20101500
 C                 -0.68989600   -1.10245200   -3.80176500
 C                  1.11917600   -1.03423500   -5.38877800
 C                 -1.34029900   -2.08687400   -4.53675900
 C                  0.47166600   -2.01481600   -6.14376100
 H                  2.07127000   -0.63720400   -5.72455500
 C                 -0.75191700   -2.53959300   -5.72034800
 H                 -2.28723100   -2.48271500   -4.18409900
 H                  0.92677600   -2.36999000   -7.06326900
 H                 -1.24969800   -3.30621600   -6.30635600
 C                  2.93835900    0.99982600   -3.84332500
 C                  3.28006300    2.13627000   -4.59052100
 C                  3.89439500   -0.00878100   -3.63191900
 C                  4.56275900    2.25337800   -5.12979000
 H                  2.55820200    2.92912500   -4.75194600
 C                  5.17090700    0.11181200   -4.18026800
 H                  3.63674100   -0.89300700   -3.05569200
 C                  5.50685000    1.24424000   -4.92904300
 H                  4.82133900    3.13640100   -5.70719100
 H                  5.90101200   -0.67610400   -4.02163500
 H                  6.50244000    1.33841600   -5.35295100
 C                  2.53361300    1.21473200    1.63210400
 O                  2.32830400    1.61413700    0.25051300
 C                  2.24746300   -1.72460100   -0.28272500
 H                  3.14020100   -1.69200500   -0.89773200
 H                  1.43594200   -2.36513800   -0.62615800
 C                  2.16227900   -1.13641700    0.93085600
 H                  1.24029700   -1.31155700    1.48494600
 C                  3.15406000   -0.24486300    1.67653100
 C                  3.26344800    2.27900400    2.41643900
 C                  2.63650700    2.81933800    3.54852100
 C                  4.52640000    2.75876800    2.04122300
 C                  3.25944100    3.82089800    4.29627600
 H                  1.65333700    2.45855200    3.84054700
 C                  5.14463700    3.76418800    2.78423400
 H                  5.02690100    2.34823400    1.17398800
 C                  4.51481800    4.29749600    3.91266700
 H                  2.76224500    4.22996400    5.17142900
 H                  6.12150900    4.13019700    2.48045600
 H                  5.00043200    5.08076800    4.48811900
 H                  1.53723700    1.10946800    2.07209400
 H                  0.07231800    2.70889300   -1.37880900
 H                  0.05716300    2.47645800    1.32819100
 O                 -1.20369600   -0.67846800   -2.58356500
 C                  4.58442200   -0.30454900    1.13515800
 C                  5.67097400   -0.65304800    1.95383000
 C                  4.85922500    0.04340300   -0.19712600
 C                  6.97810200   -0.63427300    1.46324700
 H                  5.50982200   -0.96214900    2.97810300
 C                  6.16454300    0.06794400   -0.68924300
 H                  4.04962000    0.32936400   -0.85353600
 C                  7.23429000   -0.26769500    0.14106900
 H                  7.79784300   -0.90737900    2.12222400
 H                  6.33750800    0.35994400   -1.72051400
 H                  8.25251600   -0.24774100   -0.23754000
 C                  3.05335500   -0.67392700    3.16046800
 H                  3.73757600   -0.06969800    3.76863400
 H                  2.03180800   -0.47193400    3.51763400
 O                  3.34766300   -2.06246700    3.24348500
 H                  3.30925400   -2.31701100    4.18058900
 H                  2.54517700    2.63377200   -0.00820300
 C                  3.72722600    4.17501900   -1.59886200
 C                  3.76961900    5.29590400   -2.42743000
 C                  2.83204500    6.32214000   -2.27831900
 C                  1.89241100    6.18014200   -1.25398600
 C                  1.88460900    5.03532800   -0.45852300
 H                  4.54245600    5.36377100   -3.18709200
 H                  1.15721700    6.95848100   -1.07119100
 C                  0.86676700    4.87619000    0.63400900
 H                  0.57263300    5.85091500    1.03478300
 H                 -0.04182700    4.39726200    0.25227800
 H                  1.26426900    4.27369700    1.45439700
 C                  2.85349500    7.54636200   -3.15167900
 H                  1.83783700    7.86710600   -3.40756200
 H                  3.33514800    8.38093600   -2.62547000
 H                  3.41015400    7.37055900   -4.07723700
 C                  4.76177900    3.09436100   -1.70886900
 H                  5.43198100    3.27584100   -2.55075400
 H                  5.36125200    3.04531500   -0.79532900
 H                  4.29619800    2.12015200   -1.85012500
 N                  2.76893800    4.03129000   -0.65250500
 Cl                 3.23316747   -2.48265457    5.81348765

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

-Co 0
LANL2DZ

