%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 Product (Z/eq) with OH rotated DPEPhosIso1

1 4
 Co                 1.11539100    0.05915600   -0.60821500
 P                 -1.19155600    0.22888500    0.16979500
 P                  1.32397600    0.55294700   -2.98773900
 C                 -1.42807300    1.54367400    1.41399400
 C                 -2.57585900    1.59757800    2.22474800
 C                 -0.42175100    2.51090500    1.56934600
 C                 -2.71644400    2.61601100    3.16697300
 H                 -3.35006500    0.84216400    2.12497400
 C                 -0.56732100    3.52541000    2.51853000
 C                 -1.71334000    3.58043500    3.31418200
 H                 -3.60577600    2.65403200    3.78977600
 H                  0.22213600    4.26152600    2.64107700
 H                 -1.82368500    4.36787300    4.05470900
 C                  0.35236700    2.03056200   -3.44475800
 C                  0.04812400    2.32092000   -4.78455500
 C                 -0.11085600    2.87494200   -2.42608900
 C                 -0.71315000    3.44667600   -5.09544200
 H                  0.39943400    1.66654600   -5.57775500
 C                 -0.87438300    4.00017600   -2.74199900
 C                 -1.17593400    4.28507100   -4.07527600
 H                 -0.94942500    3.66838600   -6.13241400
 H                 -1.23862600    4.64411000   -1.94664800
 H                 -1.77494300    5.15745100   -4.32146400
 C                 -2.34822300    0.57866200   -1.20461000
 C                 -3.35630400    1.54981600   -1.13254700
 C                 -2.11975900   -0.05739800   -2.43737100
 C                 -4.10619800    1.88184300   -2.26076900
 H                 -3.53981900    2.06712500   -0.19707900
 C                 -2.85515400    0.27039300   -3.57358200
 C                 -3.84814600    1.24678600   -3.47695700
 H                 -4.87870200    2.64153700   -2.19168100
 H                 -2.65285800   -0.22120900   -4.51828800
 H                 -4.41838700    1.51019500   -4.36302100
 C                 -1.74549300   -1.32088400    0.97883200
 C                 -1.39746200   -1.54672500    2.32176700
 C                 -2.40311500   -2.33019200    0.26005200
 C                 -1.69818000   -2.76447900    2.93245500
 H                 -0.90942400   -0.76620300    2.89800100
 C                 -2.70311100   -3.54652000    0.87756700
 H                 -2.68588500   -2.17466300   -0.77539000
 C                 -2.34868500   -3.76887500    2.21048600
 H                 -1.42648700   -2.92541900    3.97196900
 H                 -3.21900800   -4.31942700    0.31455200
 H                 -2.58264400   -4.71694300    2.68640400
 C                  0.65123700   -0.79650100   -4.03711300
 C                 -0.53113600   -1.43162300   -3.62219600
 C                  1.25621000   -1.24183300   -5.22186800
 C                 -1.08460200   -2.49250000   -4.33136700
 C                  0.70202200   -2.29611800   -5.95091100
 H                  2.16845600   -0.77007300   -5.57118600
 C                 -0.46189100   -2.92528100   -5.50416800
 H                 -1.99248100   -2.96047500   -3.96442900
 H                  1.18493300   -2.62781500   -6.86514900
 H                 -0.88872400   -3.75124300   -6.06512500
 C                  3.03132700    0.84199800   -3.57381300
 C                  3.46921500    2.12336500   -3.94034100
 C                  3.94420700   -0.22648600   -3.56739500
 C                  4.80138600    2.32752600   -4.30671000
 H                  2.77713800    2.95941500   -3.94613100
 C                  5.26923200   -0.01807100   -3.94611600
 H                  3.61886400   -1.22252200   -3.28246900
 C                  5.70105400    1.25943800   -4.31394800
 H                  5.13172500    3.32260600   -4.59148400
 H                  5.96608700   -0.85148800   -3.94459000
 H                  6.73607200    1.42125300   -4.60208800
 C                  2.49519300    0.60097600    1.70292500
 O                  2.27736100    1.12014100    0.40506900
 C                  2.35745300   -2.09092500   -0.52073200
 H                  3.23822100   -1.84246000   -1.10275600
 H                  1.60472300   -2.72904900   -0.98002900
 C                  2.21770400   -1.69428300    0.76465700
 H                  1.31136500   -2.00206000    1.28667200
 C                  3.17991100   -0.84462300    1.58794400
 C                  3.29175100   -1.47218400    2.99008300
 C                  4.51831800   -1.85062100    3.55658400
 C                  2.13177600   -1.66815900    3.76089500
 C                  4.58083300   -2.39522000    4.84294300
 H                  5.44619900   -1.72438100    3.01194400
 C                  2.19007200   -2.21076800    5.04369100
 H                  1.16346000   -1.39098600    3.36091800
 C                  3.42024800   -2.57756100    5.59442800
 H                  5.54686800   -2.67624400    5.25406700
 H                  1.27274600   -2.34534400    5.61118100
 H                  3.47197800   -2.99978500    6.59427800
 C                  4.56889400   -0.71018600    0.91755500
 H                  5.22945400   -0.15611300    1.59699300
 H                  5.00000700   -1.70829600    0.77708700
 O                  4.55780400   -0.07944100   -0.35819600
 H                  3.82681100    0.57426700   -0.33810300
 C                  3.28291800    1.58616900    2.54899000
 C                  2.97577100    1.74693600    3.90661800
 C                  4.31617500    2.35421400    1.99436000
 C                  3.69327700    2.64571700    4.69893400
 H                  2.17147300    1.16370100    4.34637500
 C                  5.03400700    3.25397200    2.78432500
 H                  4.56262400    2.24282500    0.94366000
 C                  4.72613700    3.40217900    4.13976500
 H                  3.44112800    2.75759900    5.75033200
 H                  5.83388900    3.84033100    2.33933900
 H                  5.28408100    4.10450300    4.75352800
 H                  1.52789500    0.44368600    2.20240700
 H                  0.11105400    2.64767900   -1.38735600
 H                  0.48597300    2.45279000    0.97502700
 O                 -1.12879300   -1.02875500   -2.43003000

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

-Co 0
LANL2DZ

