%nprocshared=8
%mem=8000MB
%chk=CGET_0016_TSCH_more_C6H5NO2.chk
# opt freq wb97xd/genecp scrf=(smd,solvent=dichloroethane) Temperature=383.15

Title Card Required

1 1
 O                 -0.23751000    2.80144700    1.06981700
 C                 -0.08251000    2.71113000   -0.23194700
 O                 -0.32523200    1.68234700   -0.86902200
 C                  1.95716300   -0.70937800   -0.30762200
 C                  0.96542800   -0.41586700    0.63039900
 C                  3.31585700   -0.82305400   -0.01372800
 C                  1.38732400   -0.23253800    1.94736700
 C                  3.70134600   -0.63462700    1.30266300
 C                  2.73845500   -0.34213300    2.27424100
 H                 -0.55422500    1.95097600    1.42548700
 H                  0.66682300   -0.00658800    2.72709800
 H                  4.74682100   -0.71880000    1.57671100
 H                  3.04766900   -0.19953600    3.30519000
 Rh                -0.88824700   -0.28557000   -0.12917500
 C                 -2.02936000   -2.06546300    0.15340200
 H                 -1.66620200   -3.03344600   -0.16549200
 C                 -2.93860900   -1.21292900   -0.59714000
 H                 -3.30014000   -1.40679200   -1.59750900
 C                 -3.15825500   -0.06545100    0.15422700
 H                 -3.72127500    0.80523900   -0.15491200
 C                 -1.79799500   -1.46588400    1.42363400
 H                 -1.19458100   -1.87500000    2.22190600
 C                 -2.40201200   -0.17608900    1.39374700
 H                 -2.42085800    0.53734400    2.20712700
 C                  0.40519900    3.95911800   -0.87994600
 H                 -0.32870500    4.75455200   -0.72269300
 H                  1.34009800    4.26914300   -0.40570900
 H                  0.55715300    3.79336300   -1.94468200
 O                  0.26623400   -0.82689500   -1.86271200
 O                  2.27636500   -1.13256800   -2.55957000
 N                  1.50788700   -0.90323200   -1.65566000
 H                  4.03227600   -1.05281900   -0.79389700

-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




