%nprocshared=8
%mem=8000MB
%chk=CGET_0016_TS_CH_C6H5NO2_110.chk
#p opt freq=noraman wb97xd/genecp scrf=(Smd,solvent=dichloroethane) temperature=385.15

Opt freq

1 1
 O                  0.41191000    2.43400200   -1.04218500
 C                  1.56107100    2.29082400   -0.55959000
 O                  1.97284300    1.20825200   -0.02211700
 C                 -2.00536200    0.43312000    0.41951300
 C                 -1.15274300    0.35288900   -0.69051100
 C                 -3.36450900    0.17060700    0.38701800
 C                 -1.74248900   -0.03475400   -1.89784800
 C                 -3.91002500   -0.22301400   -0.83259500
 C                 -3.10454600   -0.32665500   -1.96606700
 H(Iso=2)          -0.26580200    1.25245100   -0.83811500
 H(Iso=2)          -1.13183800   -0.08040500   -2.79379900
 H(Iso=2)          -4.96902700   -0.44708900   -0.89563800
 H(Iso=2)          -3.54488800   -0.62804000   -2.91060100
 Rh                 0.77490600   -0.48122600    0.11816400
 C                  0.50468600   -2.52828100    0.80125600
 H                 -0.22098200   -2.80535900    1.55372400
 C                  1.85988800   -2.09036700    1.05255500
 H                  2.32819200   -1.99632700    2.02284900
 C                  2.46019700   -1.79569100   -0.19698300
 H                  3.45269000   -1.39052100   -0.34191600
 C                  0.28055200   -2.48148500   -0.59045200
 H                 -0.65201700   -2.70292700   -1.09127400
 C                  1.47477000   -1.97412800   -1.21968700
 H                  1.61654800   -1.80499500   -2.27811100
 C                  2.54614100    3.42418500   -0.61392200
 H                  3.34501600    3.16293400   -1.31393800
 H                  2.06084400    4.34275900   -0.94170600
 H                  2.99884900    3.56421600    0.37021400
 O                 -0.15501000    0.62345800    1.79334000
 O                 -2.05596400    1.24343400    2.58604100
 N                 -1.39347900    0.79463200    1.68312600
 H(Iso=2)          -3.97003700    0.24936900    1.28229100

-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




