%nprocshared=20
%mem=8GB
#p opt=(ts,noeigentest,calcfc,maxstep=5) freq=noraman wb97xd/genecp scrf=(smd,solvent=dichloroethane) guess=always

Opt freq

1 1
 O                  1.12919100    2.24995000   -1.38802200
 C                  2.35518400    2.08008700   -1.17481000
 O                  2.83683800    1.05352100   -0.58727300
 C                 -0.78248800    0.69164200    1.09343800
 C                 -0.41409300    0.45886800   -0.21330100
 C                 -2.71087100    0.13597000   -0.23533500
 C                 -1.56267800    0.12526500   -0.98342400
 H                  0.46036500    1.18771400   -0.80289200
 H                 -1.53813600   -0.07889300   -2.04654000
 Rh                 1.62868100   -0.51996600    0.01706700
 C                  1.45860000   -2.49526600    0.91309400
 H                  1.01112500   -2.65830200    1.88459700
 C                  2.84361800   -2.16484400    0.66453500
 H                  3.61643000   -2.06389300    1.41478800
 C                  3.00870800   -1.99979300   -0.73578700
 H                  3.92050600   -1.70083900   -1.23556900
 C                  0.77994900   -2.49139100   -0.32214500
 H                 -0.28055100   -2.64801800   -0.46662900
 C                  1.72679900   -2.13882300   -1.35311300
 H                  1.51227300   -2.03361200   -2.40776900
 C                  3.34440100    3.10329800   -1.65322400
 H                  2.84960200    4.05332900   -1.85275700
 H                  4.13811600    3.23062800   -0.91509200
 H                  3.79878600    2.73438400   -2.57818700
 O                  1.36064700    0.75520700    1.84806600
 O                 -0.20997000    1.45026900    3.16869400
 N                  0.15408700    0.99028100    2.10912300
 S                 -2.46368000    0.54862100    1.42660000
 Br                -4.44729500   -0.23530300   -0.84807700

-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







