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

Title Card Required

1 1
 O                  1.29096300    2.25585600   -1.40512100
 C                  2.49079000    1.96808500   -1.23706800
 O                  2.90342500    0.89795700   -0.65538800
 C                 -0.75321800    0.80713300    1.05425900
 C                 -0.39940100    0.59038700   -0.25880400
 C                 -2.68080700    0.20580500   -0.25897700
 C                 -1.54145700    0.22824600   -1.01918200
 H                  0.47041700    1.18467100   -0.78295000
 H                 -1.51972600    0.02867900   -2.08233700
 Rh                 1.59754200   -0.55019900    0.03776400
 C                  1.51873100   -2.44352800    1.11264700
 H                  1.29898000   -2.49218000    2.17115200
 C                  2.82538400   -2.22468400    0.53930500
 H                  3.75409000   -2.13292100    1.08595700
 C                  2.67287000   -2.17014500   -0.87687200
 H                  3.45835400   -1.97551100   -1.59463000
 C                  0.57309600   -2.47471100    0.06920900
 H                 -0.49776500   -2.57361500    0.18064100
 C                  1.28165700   -2.27283600   -1.17315100
 H                  0.83710800   -2.21256800   -2.15732800
 C                  3.56269800    2.88973300   -1.74906700
 H                  3.12252600    3.81919200   -2.10948100
 H                  4.28788300    3.09603600   -0.95828100
 H                  4.09351100    2.39472700   -2.56802400
 O                  1.39235600    0.85704200    1.80861300
 O                 -0.17020700    1.59905200    3.11363800
 N                  0.19000000    1.11511500    2.06427300
 S                 -2.42662700    0.62630500    1.40099800
 Br                -4.41051700   -0.22138300   -0.85267700

-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
****

-Br -Rh -Ag
LANL2DZ







