%nprocshared=12
%mem=24GB
#p opt freq genecp scrf=(smd,solvent=dichloromethane) nosymm pop=full
empiricaldispersion=gd3 gfinput gfprint m06 scf=(maxcyc=400,xqc)

Co-SCF3ppy from TS1-CoSCF3-b

0 1
 Co                 0.20433100    0.09844000   -0.01818900
 N                 -0.14431400    1.73680700   -0.96197500
 C                 -1.12388000    1.79072600   -1.88981900
 H                 -1.63198700    0.84891600   -2.09121200
 C                 -1.49841000    2.95184000   -2.54231000
 H                 -2.30029400    2.91973000   -3.26984500
 C                 -0.83203600    4.13786900   -2.23030700
 H                 -1.10615400    5.07721400   -2.71099000
 C                  0.17155000    4.10055800   -1.27643500
 H                  0.69989300    5.00657600   -0.98546200
 C                  0.50161400    2.89706800   -0.65493400
 C                  1.58318400    2.80490200    0.33480100
 C                  2.79438000    3.46447800    0.10716700
 H                  2.88282900    4.12624000   -0.75726100
 C                  3.91085800    3.23803600    0.91433600
 H                  4.84211800    3.75472500    0.69645900
 C                  3.83904900    2.31928900    1.95761200
 H                  4.72147600    2.10154700    2.55980800
 C                  2.62382200    1.70354900    2.26971700
 H                  2.53925200    1.03043700    3.11633200
 C                  1.49444700    1.99344900    1.50660600
 C                  0.93057800   -1.01803800   -1.54059400
 C                  1.85458700   -1.16096400   -0.45363700
 C                  1.09020400   -1.64860800    0.64680000
 C                 -0.24983500   -1.94931800    0.19962000
 C                 -0.34580100   -1.59182700   -1.16554300
 C                  1.27533400   -0.47991200   -2.89320100
 H                  0.40915200   -0.01909800   -3.38721400
 H                  1.65112600   -1.26979600   -3.56344000
 H                  2.05773800    0.29023300   -2.82588700
 C                  3.29790900   -0.77629700   -0.44447300
 H                  3.96342300   -1.62963900   -0.65537800
 H                  3.60619200   -0.37076300    0.53346400
 H                  3.51543600   -0.00645700   -1.19355100
 C                  1.62676100   -1.94523800    2.01168200
 H                  2.46288500   -1.28034100    2.28077600
 H                  1.99644300   -2.97892000    2.08377400
 H                  0.85434600   -1.83069900    2.78855000
 C                 -1.32110700   -2.55185000    1.04577300
 H                 -1.20399000   -3.64425900    1.14799200
 H                 -2.31763100   -2.36879000    0.62398200
 H                 -1.31718100   -2.14126000    2.06432000
 C                 -1.53542500   -1.78180300   -2.04657500
 H                 -2.47964200   -1.54324200   -1.53315100
 H                 -1.62146800   -2.82090700   -2.40268900
 H                 -1.48419300   -1.15574700   -2.94862200
 S                  0.02264500    1.09338900    1.89084100
 C                 -1.22561600    2.50615500    2.01912700
 F                 -0.62983000    3.68263100    2.16306400
 F                 -2.03248600    2.57250300    0.96706600
 F                 -1.99044100    2.28417000    3.08668500

-Cu -Co -Ag 0
LANL2DZ
****
-N -C -H -O -Cl -S -B -F 0
6-31g*
****
-I     0
LANL2DZ
D   1   1.00
      0.2940000              1.0000000
****

-Cu -I -Ag -Co 0
LANL2DZ







