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

Cobalt Psyn rotOH (Z/eq) DPEPhosIso1

1 4
 Co                 0.93352100    0.24539600   -0.48408000
 P                 -1.39607300    0.34555600    0.19012700
 P                  1.29938500    0.69835900   -2.82388800
 C                 -1.76258600    1.70111700    1.35166400
 C                 -2.97744900    1.77401800    2.05515700
 C                 -0.77681600    2.68018300    1.55662700
 C                 -3.20936200    2.83165900    2.93389800
 H                 -3.73356900    1.00566300    1.91865400
 C                 -1.01612100    3.73597300    2.43968900
 C                 -2.23149100    3.81470400    3.12294100
 H                 -4.15022100    2.88745500    3.47415900
 H                 -0.24870800    4.48848000    2.59822000
 H                 -2.41540500    4.63519200    3.81107300
 C                  0.29686200    2.11828500   -3.37996000
 C                  0.04826200    2.36836200   -4.73865700
 C                 -0.25379800    2.95998400   -2.40211200
 C                 -0.74742600    3.45163200   -5.10992200
 H                  0.46697700    1.71508900   -5.49951000
 C                 -1.04946500    4.04307800   -2.77885500
 C                 -1.29726800    4.28718000   -4.13154200
 H                 -0.94271100    3.64255000   -6.16148300
 H                 -1.48065000    4.68593800   -2.01673500
 H                 -1.92233900    5.12594900   -4.42525400
 C                 -2.47572200    0.54797000   -1.26934200
 C                 -3.54772200    1.44908800   -1.32226700
 C                 -2.11115200   -0.12948600   -2.44680500
 C                 -4.23103600    1.67315600   -2.51745200
 H                 -3.83306800    1.99850300   -0.43166100
 C                 -2.78207300    0.08889700   -3.64774700
 C                 -3.84264200    0.99656300   -3.67487700
 H                 -5.05386700    2.38087600   -2.54512100
 H                 -2.47897400   -0.43188900   -4.54868200
 H                 -4.36164700    1.17451300   -4.61223700
 C                 -1.88810600   -1.19611700    1.04735900
 C                 -1.42189400   -1.40130500    2.35846900
 C                 -2.60065700   -2.21459100    0.40044200
 C                 -1.67003900   -2.60859100    3.01084100
 H                 -0.87294400   -0.61652700    2.87297500
 C                 -2.84339300   -3.42330200    1.05865900
 H                 -2.97277900   -2.07008800   -0.60894800
 C                 -2.37806100   -3.62414600    2.36001300
 H                 -1.31114300   -2.75524300    4.02586900
 H                 -3.40138500   -4.20627800    0.55252300
 H                 -2.56900600   -4.56533500    2.86788100
 C                  0.78218600   -0.72277700   -3.85932300
 C                 -0.36088400   -1.43612700   -3.46059800
 C                  1.48222800   -1.17486900   -4.98726600
 C                 -0.78544100   -2.57860300   -4.13002000
 C                  1.05588700   -2.31087000   -5.67870600
 H                  2.36995800   -0.64628500   -5.31852100
 C                 -0.07010300   -3.01576700   -5.24758300
 H                 -1.66655500   -3.10524300   -3.77742600
 H                  1.60947600   -2.64747400   -6.55004100
 H                 -0.39516600   -3.90544900   -5.77846300
 C                  3.03853200    1.06130400   -3.24995000
 C                  3.45549300    2.37268400   -3.52136900
 C                  3.99600900    0.03595400   -3.15857900
 C                  4.81265800    2.65116500   -3.70031600
 H                  2.72905400    3.17633600   -3.59194800
 C                  5.34870000    0.32008300   -3.34257300
 H                  3.68784300   -0.98582600   -2.96143800
 C                  5.76022300    1.62932200   -3.60940600
 H                  5.12621600    3.66957300   -3.91239300
 H                  6.07930300   -0.48075600   -3.27137800
 H                  6.81498700    1.85081500   -3.74649100
 C                  2.49413400    0.57154700    1.77360600
 O                  2.09133500    1.19946800    0.59019300
 C                  1.85949300   -2.02027300   -0.55347800
 H                  2.71050900   -1.95120200   -1.21876900
 H                  0.97508500   -2.53282900   -0.92667900
 C                  1.91470000   -1.62366000    0.73894900
 H                  1.02910500   -1.81162400    1.34365400
 C                  3.05228100   -0.90570800    1.44938300
 C                  3.35961600   -1.62589300    2.77263800
 C                  4.67579700   -1.85137700    3.20731100
 C                  2.31579900   -2.01377200    3.63364500
 C                  4.93906100   -2.45308200    4.44144500
 H                  5.52200900   -1.54097000    2.60326400
 C                  2.57588300   -2.60905700    4.86788000
 H                  1.28101600   -1.83950300    3.35618700
 C                  3.89185300   -2.83661300    5.27835400
 H                  5.96990400   -2.61246200    4.74631300
 H                  1.74589400   -2.89302400    5.50986800
 H                  4.09614900   -3.30306900    6.23816600
 C                  4.28186000   -0.76306800    0.52998200
 H                  4.63757877   -1.76074108    0.26505290
 H                  3.98915158   -0.27474560   -0.40673824
 O                  5.39312531   -0.09807231    1.12715179
 H                  5.08351647    0.75425202    1.47525734
 C                  3.49733800    1.43790000    2.52192900
 C                  3.59755500    1.37469100    3.91838700
 C                  4.33982500    2.31218000    1.82192300
 C                  4.53233300    2.15650400    4.60091500
 H                  2.94392700    0.70796600    4.47417800
 C                  5.27439000    3.09513600    2.50249900
 H                  4.25029400    2.37542900    0.74213700
 C                  5.37639800    3.01750800    3.89457700
 H                  4.59745500    2.09490000    5.68426600
 H                  5.92197400    3.76773000    1.94542500
 H                  6.10311100    3.62767400    4.42473100
 H                  1.62892400    0.41038300    2.43793100
 H                 -0.07174500    2.76035600   -1.34854400
 H                  0.18406400    2.59582600    1.05492200
 O                 -1.05046200   -1.01901100   -2.32174200

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

-Co 0
LANL2DZ

