%nprocshared=20
%mem=8GB
#p opt=(maxstep=3) freq=noraman wb97xd/genecp
scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                  1.92762300   -0.67360000   -1.09877900
 C                  4.51409100   -0.50313500   -2.16694100
 C                  0.52782100   -0.78569300   -0.60440500
 C                 -0.44000000    0.10926500   -0.50714700
 C                  3.04320700   -0.37504600   -0.30818800
 C                  4.35257000   -0.28813800   -0.79728500
 C                  2.14845400   -0.90067900   -2.45742100
 C                  3.43144500   -0.80772500   -2.98413200
 H                  5.50860700   -0.42419900   -2.59323300
 H                  3.58669400   -0.97048000   -4.04551700
 H                  1.30880200   -1.15007500   -3.09514600
 C                 -0.20949000    3.39963200   -1.44975000
 C                  0.64302200    2.52010700   -2.19603900
 C                  0.62669500    4.15214800   -0.52985600
 H                  0.34660100    1.85411300   -2.99323900
 H                  0.26299700    4.87501600    0.18731200
 C                  1.93662800    2.62147400   -1.62951200
 H                  2.80236500    2.04227000   -1.92768500
 C                  1.93045300    3.67642900   -0.63203400
 H                  2.77570900    3.97685900   -0.02840700
 H                 -1.26250300    3.57254700   -1.62129800
 Si                -2.32129400   -0.01465500   -0.95292500
 C                 -3.29410000    1.62242700   -0.76958200
 H                 -2.93941500    2.23831900   -1.60880100
 C                 -2.13019300   -0.33644300   -2.83953400
 H                 -1.32832400    0.35562500   -3.13335200
 C                 -3.17944200   -1.43946500   -0.02689000
 H                 -2.44197700   -2.24921700   -0.01040100
 O                 -0.34259900    2.23655600    1.78350600
 C                 -0.75399800    1.71526700    2.86256800
 O                 -0.76201000    0.50251600    3.18207400
 Ag                -0.16846900   -1.33710700    2.14869200
 C                 -1.30939600    2.70598700    3.86507700
 H                 -2.20677800    3.17097100    3.44342800
 H                 -1.56097800    2.21770800    4.80619900
 H                 -0.58053700    3.50179500    4.04318200
 Rh                 0.53853600    1.92735200   -0.13566500
 O                  1.91793600    0.76449300    1.35882800
 O                  3.47754900   -0.59190400    1.94519700
 N                  2.80727500   -0.05900500    1.08722900
 C                 -4.80466100    1.39563200   -0.98983800
 C                 -3.12755400    2.43818500    0.51768600
 C                 -3.51407400   -1.08336200    1.42928900
 C                 -4.42443900   -2.00091100   -0.73452200
 C                 -3.35295300    0.01868900   -3.69944900
 C                 -1.65074300   -1.75271300   -3.18415800
 H                 -5.30336700    2.36239700   -1.13091400
 H                 -5.04420800    0.77615700   -1.85516900
 H                 -5.25945600    0.92742300   -0.11009100
 H                 -3.65276400    1.06469800   -3.58652000
 H                 -3.12265300   -0.14144100   -4.75960600
 H                 -4.21678700   -0.61013100   -3.45932500
 H                 -2.39264000   -2.51131500   -2.91354200
 H                 -1.47175300   -1.84413300   -4.26262100
 H                 -0.71950600   -2.01210300   -2.67703200
 H                 -3.37501300    1.84242700    1.40434500
 H                 -2.11609600    2.81557400    0.65366600
 H                 -3.81318400    3.29553700    0.50485600
 H                 -5.24836500   -1.28162700   -0.74461700
 H                 -4.22488600   -2.29009900   -1.76993900
 H                 -4.78197100   -2.89368300   -0.20704600
 H                 -3.81754700   -1.97860600    1.98684400
 H                 -2.67435300   -0.62512700    1.96443900
 H                 -4.34464500   -0.37117800    1.48059400
 C                  5.53537900    0.06238700    0.06274600
 H                  5.32603200    0.90868400    0.72469800
 H                  5.82777700   -0.78338900    0.69079800
 H                  6.38387300    0.32828500   -0.56995400
 I                  0.29398700   -3.01156200   -0.05170600

-C -H -O -Si -N -F -Cl -S
6-31G(d,p)
****
-Br
LANL2DZ
D 1 1.0
0.428 1.0
****
-Rh
LANL2DZ
F 1 1.0
1.35 1.0
****
-Ag
LANL2DZ
F 1 1.0
1.611 1.0
****
-I
LANL2DZ
D 1 1.0
0.289 1.0
****

-Br -Rh -Ag -I
LANL2DZ







