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

CoSCF3-t

0 3
 Co                 0.50758600    0.36552000    0.19596400
 N                 -0.07958500    1.90961000   -0.86292600
 C                 -1.22021300    1.99919800   -1.55821500
 H                 -1.91670000    1.17269700   -1.44846400
 C                 -1.52010100    3.08070900   -2.36882400
 H                 -2.45964200    3.10285700   -2.91440500
 C                 -0.59655500    4.11992200   -2.45500000
 H                 -0.79531600    4.98557500   -3.08376900
 C                  0.57283800    4.04625600   -1.71755500
 H                  1.30443400    4.85041500   -1.75402300
 C                  0.81425900    2.92797500   -0.91629200
 C                  1.96225200    2.73639400   -0.04205700
 C                  2.96652800    3.69401500    0.15356900
 H                  2.96392200    4.62311800   -0.41736600
 C                  3.95967600    3.46919200    1.09549000
 H                  4.74195600    4.21023900    1.25172400
 C                  3.93226200    2.29916200    1.85682100
 H                  4.69494800    2.13143500    2.61763500
 C                  2.93645700    1.34501200    1.65631200
 H                  2.93806800    0.44733400    2.27685400
 C                  1.95113600    1.53079300    0.68406000
 C                  0.95985300   -0.82087700   -1.42400000
 C                  1.89082500   -1.08960500   -0.37933300
 C                  1.14007500   -1.51222300    0.76198600
 C                 -0.23769800   -1.66542000    0.35169900
 C                 -0.35445300   -1.24075900   -0.98288600
 C                  1.32129900   -0.31075600   -2.77494500
 H                  0.47208400    0.16967400   -3.27693800
 H                  1.66935800   -1.12549500   -3.42717200
 H                  2.13233700    0.42834400   -2.71618000
 C                  3.36832800   -0.98237800   -0.51254900
 H                  3.75636400   -1.87448000   -1.02653000
 H                  3.87301300   -0.91426400    0.45691000
 H                  3.66427800   -0.10714500   -1.10530500
 C                  1.66396600   -1.94947400    2.08579100
 H                  2.73327800   -1.73517500    2.19811800
 H                  1.53696100   -3.03447800    2.21754400
 H                  1.12969400   -1.45765600    2.91091500
 C                 -1.31014500   -2.21956600    1.21853000
 H                 -1.11501100   -3.28231900    1.42583500
 H                 -2.29717900   -2.14659600    0.74924300
 H                 -1.35384800   -1.69772000    2.18411800
 C                 -1.57902000   -1.32200300   -1.82741200
 H                 -2.48867300   -1.06296700   -1.27132400
 H                 -1.71283400   -2.34828900   -2.20082600
 H                 -1.52161400   -0.67144600   -2.70807400
 S                 -0.44703700    1.06124800    2.14697700
 C                 -2.16301400    1.39459700    1.78845500
 F                 -2.38253000    2.60338300    1.23002800
 F                 -2.75739000    0.51094400    0.95862400
 F                 -2.88763500    1.38317800    2.92282800

-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







