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

Cobalt SM (Z/eq) with OH rotated DPEPhosIso1 - OH deprotonated

0 4
 Co                 1.10217900   -0.24516100   -0.60083200
 P                 -1.23598200   -0.08077000    0.11622000
 P                  1.21127100    0.61452000   -2.88035700
 C                 -1.62239900    1.09416200    1.46781200
 C                 -2.75579500    0.96233300    2.28810100
 C                 -0.74700700    2.17063100    1.67711200
 C                 -2.99997500    1.89100200    3.30047200
 H                 -3.44155100    0.13373500    2.13960900
 C                 -0.99461200    3.10040300    2.68927300
 C                 -2.12043600    2.95946700    3.50349100
 H                 -3.87750300    1.78034700    3.93135500
 H                 -0.30646900    3.92713500    2.84244800
 H                 -2.31252100    3.67801700    4.29542800
 C                  0.22624000    2.12283700   -3.19897300
 C                 -0.23736800    2.47347600   -4.47605600
 C                 -0.06501700    2.95008800   -2.10488100
 C                 -0.97826100    3.64313700   -4.65102700
 H                 -0.02674300    1.83221300   -5.32740600
 C                 -0.80731000    4.11796600   -2.28232500
 C                 -1.26440000    4.46468800   -3.55627300
 H                 -1.33759200    3.91020600   -5.64103900
 H                 -1.03752600    4.74663400   -1.42657100
 H                 -1.84828000    5.37024000   -3.69628800
 C                 -2.36886900    0.38300500   -1.25436800
 C                 -3.37221500    1.35290000   -1.11629100
 C                 -2.15114600   -0.16734100   -2.53003000
 C                 -4.12690100    1.76582400   -2.21433500
 H                 -3.55297600    1.80319000   -0.14607700
 C                 -2.89711800    0.23712400   -3.63545600
 C                 -3.88361600    1.21008800   -3.47136100
 H                 -4.89411300    2.52377100   -2.08837200
 H                 -2.70442900   -0.19634000   -4.61041600
 H                 -4.46044800    1.53173000   -4.33369400
 C                 -1.84011800   -1.70624600    0.73777700
 C                 -1.52519700   -2.09232800    2.05231500
 C                 -2.51851900   -2.61177700   -0.09128300
 C                 -1.87343400   -3.35825800    2.52359300
 H                 -1.02359400   -1.39925900    2.72019000
 C                 -2.86373800   -3.87950400    0.38363000
 H                 -2.78328900   -2.33855700   -1.10588400
 C                 -2.53986500   -4.25846400    1.68797100
 H                 -1.62464500   -3.63747200    3.54381400
 H                 -3.39148600   -4.56900300   -0.26977400
 H                 -2.80977000   -5.24557500    2.05296900
 C                  0.63198500   -0.61676300   -4.11207600
 C                 -0.51393500   -1.37310100   -3.81388500
 C                  1.31351300   -0.89381500   -5.30590100
 C                 -0.96312900   -2.38641900   -4.65461100
 C                  0.86325700   -1.89778300   -6.16615500
 H                  2.20552400   -0.32819300   -5.55684900
 C                 -0.26917000   -2.64683000   -5.83887000
 H                 -1.84564900   -2.95405100   -4.37626300
 H                  1.40314900   -2.09890000   -7.08678500
 H                 -0.61483900   -3.43506400   -6.50115600
 C                  2.92427900    1.01821000   -3.38994700
 C                  3.26363800    2.16781200   -4.11776600
 C                  3.93787600    0.13854900   -2.97480900
 C                  4.60143600    2.43082300   -4.42369200
 H                  2.49313600    2.85936200   -4.44332900
 C                  5.27191600    0.40494700   -3.28250300
 H                  3.68725400   -0.74857900   -2.40152800
 C                  5.60562300    1.55355900   -4.00665500
 H                  4.85691000    3.32420100   -4.98709800
 H                  6.04694900   -0.27788500   -2.94674000
 H                  6.64505400    1.76594000   -4.24158200
 C                  2.63859800    1.39136400    1.47295700
 O                  2.41095600    1.18046400    0.26325200
 C                  1.83241600   -2.14901600   -0.24277500
 H                  2.72151700   -2.26189400   -0.85841100
 H                  0.98416900   -2.77053100   -0.54212800
 C                  1.99171100   -1.95269700    1.16728600
 H                  1.08626100   -2.11272700    1.74815100
 C                  3.11037800   -1.55926500    1.88411600
 C                  3.01343600   -1.32981300    3.33774400
 C                  4.12966100   -1.50333400    4.18512600
 C                  1.81495700   -0.87627400    3.93638400
 C                  4.05071800   -1.23708800    5.55246000
 H                  5.06794700   -1.86782900    3.77886000
 C                  1.73617800   -0.61206100    5.30102700
 H                  0.94577600   -0.68799700    3.31440000
 C                  2.85666600   -0.78708700    6.12105000
 H                  4.92865800   -1.38580500    6.17586700
 H                  0.80110900   -0.25228300    5.72306600
 H                  2.79926400   -0.57336100    7.18473600
 C                  4.49013800   -1.41547500    1.25013500
 H                  5.10892700   -0.75312000    1.87024600
 H                  4.99516800   -2.39041300    1.22439100
 O                  4.50612800   -0.95494500   -0.10120200
 C                  3.90394300    1.89291300    1.97078900
 C                  4.09605600    1.97244600    3.36369700
 C                  4.95006500    2.23401800    1.08791700
 C                  5.32548200    2.38520100    3.86900200
 H                  3.29046800    1.68695400    4.03402300
 C                  6.17116900    2.65061300    1.60085800
 H                  4.79032300    2.17296200    0.01561400
 C                  6.35915200    2.72316800    2.98928200
 H                  5.48267000    2.43588500    4.94199800
 H                  6.98096100    2.91765800    0.92865600
 H                  7.31903100    3.04398800    3.38439900
 H                  1.85209100    1.20176100    2.21265100
 H                  0.27924100    2.66780900   -1.11468600
 H                  0.13069500    2.28079100    1.04964700
 O                 -1.17671300   -1.15226300   -2.60969100

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

-Co 0
LANL2DZ

