%nprocshared=36
%mem=180GB
#p opt=(calcfc,maxstep=3) 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                 1.16310000    0.26694700   -0.50733500
 P                 -1.25037500    0.00143900    0.13220000
 P                  1.35303700    0.30944900   -3.03359700
 C                 -1.67335500    0.79423400    1.71520600
 C                 -2.78445600    0.39516400    2.47507500
 C                 -0.86774900    1.85076900    2.15921700
 C                 -3.07711600    1.05732900    3.66770900
 H                 -3.41195500   -0.42598600    2.14169600
 C                 -1.16886500    2.51614800    3.34802600
 C                 -2.27292300    2.11557500    4.10412700
 H                 -3.93301600    0.74550800    4.25945400
 H                 -0.53821200    3.33226500    3.68692000
 H                 -2.50212200    2.62245600    5.03701400
 C                  0.74266900    1.94265300   -3.58058300
 C                  0.58707100    2.26003600   -4.94084300
 C                  0.36935100    2.87902700   -2.60742400
 C                  0.08253800    3.50542100   -5.31175900
 H                  0.85045200    1.53442000   -5.70451100
 C                 -0.13619700    4.12470800   -2.98097500
 C                 -0.27825200    4.43848200   -4.33329800
 H                 -0.03402000    3.74707000   -6.36437600
 H                 -0.41224300    4.84420400   -2.21645500
 H                 -0.67385900    5.40651400   -4.62733300
 C                 -2.23351500    0.84916700   -1.14431900
 C                 -2.95738500    2.02836700   -0.92640700
 C                 -2.11493700    0.35578500   -2.45364300
 C                 -3.53316700    2.70153900   -2.00533900
 H                 -3.05944700    2.42155600    0.08052300
 C                 -2.68289100    1.01572000   -3.53880200
 C                 -3.38783800    2.19877800   -3.30151900
 H                 -4.08976700    3.61783800   -1.83461700
 H                 -2.56756800    0.62450800   -4.54348000
 H                 -3.82638200    2.72876400   -4.14179400
 C                 -1.84153300   -1.72202200    0.27854500
 C                 -1.08204200   -2.61900100    1.04661000
 C                 -3.03034900   -2.15756400   -0.32393600
 C                 -1.50511000   -3.93949600    1.20328000
 H                 -0.17403800   -2.29090400    1.54265400
 C                 -3.44795600   -3.47985400   -0.16394000
 H                 -3.63049400   -1.47176000   -0.91358600
 C                 -2.68595200   -4.37259200    0.59453100
 H                 -0.91345500   -4.62580800    1.80243600
 H                 -4.37075500   -3.81123300   -0.63179300
 H                 -3.01338800   -5.40146800    0.71442300
 C                  0.42423300   -0.88297100   -4.09210300
 C                 -0.87965700   -1.26151200   -3.74393700
 C                  0.95797800   -1.39738700   -5.28579500
 C                 -1.63373900   -2.13021200   -4.52665200
 C                  0.20752500   -2.25906100   -6.08739100
 H                  1.96302000   -1.12843500   -5.59093800
 C                 -1.08488500   -2.62923300   -5.70854500
 H                 -2.63150800   -2.40399600   -4.19910400
 H                  0.63856100   -2.64493600   -7.00622100
 H                 -1.66520200   -3.30698200   -6.32736600
 C                  3.06323700    0.07751000   -3.64255000
 C                  3.72200500    1.01147300   -4.45212300
 C                  3.68955600   -1.14497800   -3.34029400
 C                  4.99242800    0.72229100   -4.95854100
 H                  3.24715300    1.95429700   -4.69967700
 C                  4.95100300   -1.43266700   -3.85762900
 H                  3.18335100   -1.87922900   -2.71868900
 C                  5.60375800   -0.49951400   -4.66990000
 H                  5.49627400    1.45098800   -5.58713200
 H                  5.42671400   -2.38025200   -3.62273100
 H                  6.58765800   -0.72395700   -5.07160000
 C                  2.72811200    1.49511500    1.80267900
 O                  2.19552900    1.74095400    0.45332900
 C                  2.46718600   -1.75584800    0.21143600
 H                  3.35648200   -1.86553500   -0.40029600
 H                  1.64079700   -2.43726800    0.01785000
 C                  2.39704900   -0.87621300    1.23447800
 H                  1.47416100   -0.87002600    1.82328600
 C                  3.43605900    0.08803700    1.78705300
 C                  3.53826700    2.69190700    2.25308100
 C                  3.17615100    3.33715900    3.44281100
 C                  4.59127800    3.21577900    1.49088800
 C                  3.85390800    4.48159400    3.86571300
 H                  2.37764300    2.92632700    4.05396800
 C                  5.26678400    4.36169500    1.91126500
 H                  4.88157700    2.73607900    0.56588300
 C                  4.90005800    5.00007200    3.09870700
 H                  3.56212700    4.96586200    4.79369900
 H                  6.07828800    4.75682300    1.30581000
 H                  5.42632000    5.89380600    3.42353400
 H                  1.86638900    1.39484000    2.46923500
 H                  0.46817500    2.64859600   -1.55084300
 H                 -0.00477000    2.14352500    1.57374800
 O                 -1.40040000   -0.82301600   -2.53854800
 C                  4.75723000    0.13145200    1.02089200
 C                  5.99109600    0.08682700    1.69026900
 C                  4.77803900    0.32826500   -0.36901400
 C                  7.19271200    0.23120300    0.99264000
 H                  6.02239700   -0.01594500    2.76762100
 C                  5.97474000    0.48401300   -1.06874300
 H                  3.84955200    0.39625400   -0.91831200
 C                  7.19258400    0.43468700   -0.38834800
 H                  8.13167900    0.19953400    1.53900600
 H                  5.94802200    0.64656300   -2.14119100
 H                  8.12852400    0.55709200   -0.92704600
 C                  3.60373300   -0.41557100    3.26802800
 H                  2.60930600   -0.63526700    3.67388100
 H                  4.15549500   -1.36391900    3.21855400
 O                  4.27282300    0.48086300    4.11950300
 H                  3.59702600    0.81952900    4.75092400
 H                  2.18217400    2.75727800    0.18572000
 C                  3.00431300    4.56503800   -1.40418200
 C                  3.10840500    5.86678900   -1.89919500
 C                  2.36639800    6.89959300   -1.32450500
 C                  1.53170000    6.56562400   -0.25077500
 C                  1.45821000    5.24948000    0.19909200
 H                  3.77361800    6.06618900   -2.73442900
 H                  0.93472700    7.32958000    0.23856200
 C                  0.53817600    4.86141600    1.32135300
 H                  0.18827800    5.74175300    1.86742400
 H                 -0.34364100    4.33733900    0.93460800
 H                  1.04391400    4.19743900    2.02728900
 C                  2.42910600    8.30847200   -1.84963300
 H                  1.54498400    8.52467400   -2.46398300
 H                  2.43858500    9.03629400   -1.03080700
 H                  3.31518900    8.46868000   -2.47135300
 C                  3.81839500    3.45500500   -2.00825400
 H                  3.90643300    3.58429900   -3.09016600
 H                  4.83483300    3.45073100   -1.59723600
 H                  3.37424400    2.48040500   -1.80653400
 N                  2.18713900    4.26464000   -0.37451600
 Cl                 1.77128400    1.01211300    5.96499800

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

-Co 0
LANL2DZ

