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

Cobalt n-allyl Z metalocycle rotated to make tetrahedral - OH deprotonated

0 4
 Co                 1.18999700    0.59972700   -0.49947600
 P                 -0.94715300   -0.12091600    0.39125100
 P                  0.99882700    1.01300000   -2.88769300
 C                 -1.40740600    0.73750000    1.94038000
 C                 -2.08890700    0.10827800    2.99119800
 C                 -1.00480200    2.07655900    2.08076500
 C                 -2.35325700    0.80830100    4.17087700
 H                 -2.40031700   -0.92748900    2.89761300
 C                 -1.27903200    2.77598100    3.25580500
 C                 -1.94753500    2.13858900    4.30619000
 H                 -2.87369200    0.31186000    4.98513200
 H                 -0.96100000    3.80998800    3.35683800
 H                 -2.14966500    2.67774100    5.22758800
 C                 -0.15336700    2.37952200   -3.27113600
 C                 -0.64410100    2.61057300   -4.56615300
 C                 -0.57946600    3.19741700   -2.21375200
 C                 -1.54221400    3.65298600   -4.79651500
 H                 -0.33428400    1.97232700   -5.38867200
 C                 -1.48025500    4.23745700   -2.44724500
 C                 -1.96129600    4.46582600   -3.73875600
 H                 -1.91968100    3.82671300   -5.80035700
 H                 -1.81261700    4.85987800   -1.62118600
 H                 -2.66749100    5.27127100   -3.92027400
 C                 -2.28294900    0.27675700   -0.79476200
 C                 -3.34722000    1.14106100   -0.50745500
 C                 -2.13250100   -0.18574200   -2.11356400
 C                 -4.22052600    1.55025300   -1.51688500
 H                 -3.47942500    1.51086400    0.50439500
 C                 -2.99519700    0.21442000   -3.13099200
 C                 -4.03666700    1.09297700   -2.82363300
 H                 -5.03602300    2.22821800   -1.28394500
 H                 -2.85121700   -0.14541800   -4.14380500
 H                 -4.70548100    1.41856800   -3.61504900
 C                 -1.08111600   -1.91175500    0.75810900
 C                 -0.11246800   -2.47722600    1.60499800
 C                 -2.07773100   -2.73119800    0.21152500
 C                 -0.13830800   -3.84136200    1.89778100
 H                  0.63769300   -1.84811100    2.07122100
 C                 -2.09603900   -4.09763100    0.50198500
 H                 -2.84090200   -2.31062300   -0.43535900
 C                 -1.12765300   -4.65612000    1.34028500
 H                  0.61122600   -4.25910900    2.56431200
 H                 -2.87268500   -4.72531700    0.07352800
 H                 -1.14782600   -5.71942200    1.56244000
 C                  0.48630000   -0.36122200   -3.99349000
 C                 -0.52758000   -1.23473800   -3.56683400
 C                  1.08353100   -0.60241900   -5.24015100
 C                 -0.93643900   -2.31720800   -4.33989500
 C                  0.67399100   -1.67889900   -6.02955900
 H                  1.87682700    0.05043900   -5.59078700
 C                 -0.33253700   -2.53667000   -5.57979700
 H                 -1.71471800   -2.97253300   -3.96161700
 H                  1.14739700   -1.84972800   -6.99192900
 H                 -0.64667900   -3.37926600   -6.18875400
 C                  2.65266200    1.49166500   -3.50938300
 C                  2.88097700    2.57197300   -4.37221500
 C                  3.73815900    0.71685400   -3.06293100
 C                  4.18220300    2.86855000   -4.78764100
 H                  2.05211700    3.18051100   -4.72066800
 C                  5.03305400    1.01177300   -3.48783000
 H                  3.56494300   -0.11457200   -2.38289300
 C                  5.25631300    2.08985500   -4.35034300
 H                  4.35425800    3.70788500   -5.45580900
 H                  5.86627100    0.40621800   -3.14180400
 H                  6.26585200    2.32438700   -4.67637100
 C                  2.56174500    1.89757300    0.32692600
 H                  2.32590100    2.95931200    0.27426100
 H                  3.39993600    1.60605900   -0.31380000
 C                  2.37845200    1.25305200    1.58869800
 H                  1.81660500    1.82179900    2.32413200
 C                  2.75695100   -0.04279000    1.92821900
 H                 -0.21917100    3.01103600   -1.20473100
 H                 -0.46221700    2.56491200    1.27495400
 O                 -1.08383800   -1.06808400   -2.30503800
 C                  2.43704800   -0.63922800    3.23667300
 C                  3.11595100   -1.78519700    3.71065300
 C                  1.41048300   -0.11637800    4.06105000
 C                  2.78470900   -2.37611000    4.93003000
 H                  3.93087000   -2.21427400    3.13690400
 C                  1.08147700   -0.70969800    5.27573100
 H                  0.83032100    0.73821200    3.73315600
 C                  1.76307600   -1.84675900    5.72160300
 H                  3.33360200   -3.25345600    5.26236300
 H                  0.27389700   -0.28806000    5.86822100
 H                  1.50037500   -2.31270900    6.66716600
 C                  3.39517200   -0.87755800    0.84403400
 H                  4.20139900   -0.34527200    0.33439500
 H                  3.78879400   -1.83148000    1.19176700
 O                  2.42307500   -1.16487500   -0.23078800

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

-Co 0
LANL2DZ

