%nprocshared=20
%mem=2GB
#p opt freq=noraman wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                  0.58736200   -1.38702800   -0.52532500
 C                 -0.34720900   -0.58390500   -0.42051100
 C                  1.74693800    2.45676300   -1.15706300
 C                  1.89892900    1.32878400   -1.99908700
 C                  2.79836100    2.41871800   -0.17166000
 H                  1.24265900    1.04424500   -2.80997700
 H                  2.94864200    3.13371900    0.62565800
 C                  3.03125200    0.57613000   -1.54133400
 H                  3.41039500   -0.33634300   -1.97893500
 C                  3.60854000    1.28231800   -0.44301300
 H                  4.45157700    0.94964600    0.14848200
 H                  0.95400100    3.19041000   -1.21267800
 Si                -2.07673000    0.15086600   -0.19488100
 C                 -2.54285000   -0.18862300    1.61316000
 H                 -2.07087500    0.63313900    2.16879100
 C                 -1.92597700    1.99728600   -0.57663500
 H                 -1.00887400    2.30617900   -0.05788700
 C                 -3.09047100   -0.79103900   -1.49217600
 H                 -2.53584400   -0.65169700   -2.43157600
 O                  0.43298000    1.19623600    1.78749700
 C                  1.02267100    0.29677100    2.46690300
 O                  1.91696700   -0.37852100    1.86229500
 C                  0.69985800    0.06056700    3.90136100
 H                 -0.34083600    0.32083200    4.10029300
 H                  0.89355800   -0.97954200    4.16627400
 H                  1.34273600    0.70258600    4.51255100
 Rh                 1.56923800    0.66251700    0.04746300
 C                 -4.06185900   -0.11236400    1.84011000
 C                 -1.99683900   -1.51265800    2.16738700
 C                 -3.16448500   -2.29729400   -1.20558900
 C                 -4.49791700   -0.20753800   -1.69638000
 C                 -3.07673700    2.83828400   -0.00579000
 C                 -1.73821300    2.25585300   -2.07778000
 H                 -4.28575500   -0.15201600    2.91289100
 H                 -4.50717800    0.80619900    1.44553400
 H                 -4.57198800   -0.96057200    1.37072400
 H                 -3.16258300    2.72734900    1.07990800
 H                 -2.91079200    3.90178800   -0.21589700
 H                 -4.04093000    2.56592200   -0.44896700
 H                 -2.65410000    2.03865200   -2.63788100
 H                 -1.48730000    3.30699800   -2.26417800
 H                 -0.94161300    1.64068500   -2.50959000
 H                 -2.45185800   -2.37324400    1.66490900
 H                 -0.91310600   -1.60664600    2.05082200
 H                 -2.22478300   -1.60249500    3.23612000
 H                 -5.11971900   -0.33181400   -0.80462900
 H                 -4.47666400    0.85871100   -1.94111200
 H                 -5.00445200   -0.72376400   -2.52094000
 H                 -3.66396000   -2.82076900   -2.02959300
 H                 -2.17436800   -2.75027100   -1.08180200
 H                 -3.73865500   -2.49883700   -0.29464900
 Cl                 1.54312687   -2.85377607   -0.70633224

-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
****
-I
LANL2DZ
D 1 1.0
0.289 1.0
****

-Br -Rh -Ag -I
LANL2DZ







