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

Title Card Required

1 1
 C                 -1.94270300   -0.92582000    0.81504200
 C                 -4.70431600   -0.88249800    1.26282600
 C                 -0.47485300   -0.91217400    0.65713800
 C                  0.46420600   -0.00723600    0.75287700
 C                 -2.85105100   -0.56087300   -0.18750100
 C                 -4.23865300   -0.52594800   -0.00485300
 C                 -2.46249100   -1.29141900    2.05621300
 C                 -3.83358500   -1.26739700    2.27503100
 H                 -5.77284600   -0.85021300    1.45113600
 H                 -4.22653900   -1.54156700    3.24854600
 H                 -1.78195900   -1.58790000    2.84815500
 C                  0.08141700    3.54483600    1.29373600
 C                 -0.59995800    2.61034400    2.13844800
 C                 -0.85092800    4.02409300    0.29895500
 H                 -0.17730600    2.09829600    2.99235200
 H                 -0.62530400    4.72885900   -0.48860800
 C                 -1.89394800    2.40761100    1.58575000
 H                 -2.65453700    1.73910300    1.96719500
 C                 -2.04644800    3.31934400    0.47023000
 H                 -2.91552500    3.37550400   -0.17302600
 H                  1.09989200    3.88741500    1.41438400
 Si                 2.25908400   -0.09815300    1.40327400
 Br                 0.02851900   -3.03691500    0.29769300
 C                  3.08986900    1.58279800    1.63070300
 H                  2.41347600    2.24378700    2.18450100
 C                  2.11145300   -0.72904600    3.18251900
 H                  1.53302500    0.02116600    3.73864400
 C                  3.35929700   -1.18388700    0.32100400
 H                  2.91389100   -2.17860200    0.21075000
 O                  1.05907100    2.06233400   -1.36227400
 C                  1.59861000    1.46552000   -2.34412200
 O                  1.48071900    0.26472200   -2.67950900
 Ag                 0.82553100   -1.65514200   -1.84968300
 C                  2.51786000    2.32226300   -3.19237100
 H                  3.55430800    2.07303400   -2.94007800
 H                  2.36939500    2.09589700   -4.24999600
 H                  2.35684000    3.38542700   -3.00846500
 Rh                -0.39868400    1.81806400    0.15877400
 O                 -1.41186600    0.67790600   -1.53682100
 O                 -2.78970500   -0.66295700   -2.48459700
 N                 -2.32302400   -0.16521800   -1.48282300
 C                  3.68387200    2.30436500    0.41778000
 C                  4.78182700   -1.31849900    0.88383100
 C                  1.53898400   -2.12162000    3.44672200
 H                  2.09669400   -2.89898500    2.91365100
 H                  1.57246300   -2.36235900    4.51438800
 H                  0.49454000   -2.19263300    3.12831000
 H                  4.31943900    1.63675400   -0.17435300
 H                  2.90071700    2.68181200   -0.24221600
 H                  4.30516600    3.15070500    0.73136600
 H                  5.27209300   -0.34493100    0.98614400
 H                  4.77691500   -1.79123800    1.87121000
 H                  5.40793000   -1.93485200    0.22953700
 C                 -5.20610200   -0.09366700   -1.07286200
 H                 -4.86020400    0.79806200   -1.60419200
 H                 -5.35142200   -0.88491500   -1.81282200
 H                 -6.17252000    0.13395500   -0.62075700
 H                  3.12957100   -0.66753900    3.59285200
 H                  3.89866700    1.35608700    2.34017700
 H                  3.39493000   -0.74218800   -0.68481100

-C -H -O -Si -N -F -Cl
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
****

-Br -Rh -Ag
LANL2DZ







