%nprocshared=20
%mem=2GB
%chk=CGET_0027_NO2Ph.chk
#p opt freq=noraman wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Opt freq

0 1
 C                 -0.52384300   -1.46772000   -0.07305900
 C                 -1.90922700   -1.42792600   -0.09442500
 C                 -2.55548600   -0.19579600   -0.03188700
 C                 -1.81810200    0.98000500    0.04882800
 C                 -0.41836400    0.98436300    0.05263600
 C                  0.19608100   -0.27581500   -0.01215600
 H                  0.00975900   -2.40935100   -0.11374800
 H                 -2.47556700   -2.35062400   -0.15720900
 H                 -3.63986700   -0.14803200   -0.04128900
 H                 -2.33594000    1.93211800    0.11468500
 N                  1.65417800   -0.40698300   -0.01979400
 O                  2.13653700   -1.45332300    0.39487900
 O                  2.32414800    0.52100100   -0.45220200
 H                  0.14746063    1.89118257    0.10183704

-C -H -O -Si -N -F
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




