%nprocshared=20
%mem=2GB
%chk=CGET_0001_NO2PhMepNO2.chk
#p opt freq=noraman wb97xd/genecp scrf=(solvent=dichloroethane,smd)

Title Card Required

0 1
 C                  1.19585600    1.67745300    0.16282800
 C                  0.00011500    2.37582000    0.24167200
 C                 -1.19570500    1.67974300    0.16026400
 C                 -1.17298100    0.29512000    0.02547300
 C                 -0.00008100   -0.46869600   -0.05530700
 C                  1.17299500    0.29489600    0.02662600
 H                  2.14806700    2.19166200    0.21460600
 H                  0.00017900    3.45213500    0.36502200
 H                 -2.14787200    2.19410500    0.21051700
 C                 -0.00225000   -1.95452000   -0.30064700
 H                 -0.91876400   -2.26417100   -0.80401900
 H                  0.84673400   -2.24647500   -0.92065900
 H                  0.06320100   -2.50044600    0.64510900
 N                  2.48557000   -0.35776500   -0.02147400
 O                  3.37846600    0.22084900   -0.62269800
 O                  2.62480300   -1.42145400    0.56232100
 N                 -2.48556200   -0.35736700   -0.02228100
 O                 -2.62348200   -1.41829800    0.56762800
 O                 -3.37769900    0.21743000   -0.62934300

-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








