%nprocshared=12
%mem=24GB
#p opt=modredundant freq b3lyp/genecp scrf=(smd,solvent=dichloromethane)
nosymm pop=full empiricaldispersion=gd3 gfinput gfprint
scf=(maxcyc=400,xqc)

TS0-rev10scn2-PhINTs-CuCl-a

0 1
 C                 -1.93035700   -0.93838600   -0.00752900
 C                 -0.83691100   -1.10250800   -1.04000200
 C                 -1.38249200   -0.72327300    1.39120400
 C                 -2.79365500    0.23756700   -0.42589600
 C                 -3.14155200    0.64829000   -1.69961300
 H                 -2.83486600    0.33220900   -2.68453400
 C                 -0.89252400   -1.85235300   -2.19595100
 H                 -1.62888500   -2.54430900   -2.57616800
 C                 -1.74412100   -1.34957800    2.56068500
 H                 -2.43859300   -2.14159000    2.78588300
 N                 -0.99525000   -0.74308800    3.51396500
 N                 -4.00544300    1.66717800   -1.50366100
 N                  0.23409000   -1.52285900   -2.87091500
 N                 -3.45753200    1.02059000    0.46673100
 N                 -4.18728900    1.88936200   -0.18220800
 N                  0.95758500   -0.62706200   -2.20132600
 N                  0.31426900   -0.37409900   -1.08683200
 N                 -0.43717200    0.21071200    1.69373200
 N                 -0.19471400    0.19255700    2.98324300
 Cu                 1.06044700    1.08813600    0.16398000
 O                 -2.64502200   -2.18443300   -0.04249700
 C                 -4.03449200   -2.15140900    0.29357900
 H                 -4.63077900   -1.67620300   -0.49470300
 H                 -4.33416100   -3.19845300    0.38722700
 H                 -4.22686300   -1.62991500    1.24057100
 C                  0.56758200   -1.83498000   -4.26576700
 H                  1.61848700   -1.55900900   -4.38810000
 H                  0.47855300   -2.91452500   -4.40201800
 C                 -4.72780800    2.46944600   -2.49156200
 H                 -5.42024500    1.81611100   -3.03100100
 H                 -5.32350000    3.17442200   -1.90391200
 C                 -0.91876300   -1.06356200    4.95050800
 H                 -0.57556700   -0.15758700    5.44519700
 H                 -1.94082700   -1.28327900    5.27845800
 C                 -0.33646100   -1.07387500   -5.21394700
 C                 -0.63121100    0.28016400   -4.98866100
 C                 -0.89481900   -1.72136300   -6.32564900
 C                 -1.47594100    0.97195300   -5.85704100
 H                 -0.20767000    0.79027600   -4.12516400
 C                 -1.73254100   -1.02420000   -7.19714100
 H                 -0.67389500   -2.77269600   -6.50057900
 C                 -2.02587300    0.32125200   -6.96398000
 H                 -1.69871200    2.01192200   -5.66254400
 H                 -2.16309500   -1.53725000   -8.05797800
 H                 -2.68576100    0.86226900   -7.63707100
 C                  0.00924500   -2.23314400    5.20068000
 C                 -0.43245200   -3.54198600    4.97551900
 C                  1.33261600   -2.01050500    5.59696600
 C                  0.44911500   -4.61666500    5.12085900
 H                 -1.46256200   -3.72344500    4.68206100
 C                  2.21491000   -3.08603000    5.74289500
 H                  1.67884200   -0.99250200    5.76536400
 C                  1.77400700   -4.38660700    5.50197200
 H                  0.10082500   -5.63251200    4.94079800
 H                  3.24291700   -2.89911600    6.04638200
 H                  2.46418000   -5.22126500    5.61670500
 C                 -3.81601300    3.20405700   -3.45841300
 C                 -4.26395200    3.44234300   -4.76459700
 C                 -2.56768700    3.68268100   -3.05870500
 C                 -3.47313900    4.17835100   -5.65465800
 H                 -5.22666500    3.06263600   -5.08473600
 C                 -1.76902300    4.39731000   -3.95412600
 H                 -2.19790300    3.48927600   -2.05488100
 C                 -2.22189400    4.65473200   -5.25146800
 H                 -3.82867900    4.35956200   -6.66470100
 H                 -0.79342500    4.75092500   -3.63239500
 H                 -1.60096900    5.21432000   -5.94590000
 N                  2.41187500    1.60673400    1.36697900
 I                  3.51086000   -0.53306800    2.77475000
 S                  3.73063600    2.50220700    0.89429700
 C                  2.63882900   -1.88300700    1.41417700
 O                  3.17278700    3.77501100    0.34897800
 O                  4.75036400    2.59465800    1.96606900
 C                  4.49389900    1.60245900   -0.46128400
 C                  3.14781100   -1.95650600    0.11136900
 C                  1.56865000   -2.68450600    1.83032800
 C                  3.82967100    1.52930500   -1.69031300
 C                  5.66583800    0.88663900   -0.24315400
 C                  2.56941800   -2.85067000   -0.78679700
 H                  3.97280600   -1.32313800   -0.19964000
 C                  0.99732600   -3.56899300    0.91166700
 H                  1.18145800   -2.61786000    2.83921100
 C                  4.33782500    0.70738800   -2.69142400
 H                  2.90746600    2.09063400   -1.84824700
 C                  6.16857400    0.06761800   -1.25843600
 H                  6.17111000    0.95249400    0.71502400
 C                  1.49701200   -3.65803300   -0.39176100
 H                  2.95064300   -2.90465200   -1.80299700
 H                  0.16068800   -4.18509000    1.22101000
 C                  5.51101100   -0.04095200   -2.48899300
 H                  3.81156300    0.64004000   -3.64250300
 H                  7.08145200   -0.49893600   -1.08766800
 H                  1.04575800   -4.34591200   -1.09743500
 C                  6.03177400   -0.94287500   -3.58373300
 H                  6.32909800   -0.36647100   -4.46714300
 H                  6.90576800   -1.51787000   -3.24914800
 H                  5.26347600   -1.65524300   -3.91149200
 Cl                 0.29251400    2.86437900   -1.08295900

B 68 69 B

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

-Cu -I 0
LANL2DZ







