%nprocshared=12
%mem=2GB
%chk=CGET_0021_TS_CH_Cpstar_paraCH3_more.chk
#p opt freq=noraman wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                  0.26032300    2.85154500   -1.09089400
 C                  1.45868100    2.81984200   -0.66442100
 O                  1.98930600    1.78932000   -0.16888100
 C                 -1.95713600    0.67371300    0.32803900
 C                 -1.07846800    0.64464400   -0.76708000
 C                 -3.28006800    0.21795500    0.33085600
 C                 -1.61581400    0.18340000   -1.96695700
 C                 -3.76631700   -0.25590800   -0.90902900
 C                 -2.93653800   -0.24755500   -2.03258100
 H                 -0.23381600    1.78269700   -0.93399400
 H                 -0.99865200    0.16822900   -2.86101700
 H                 -3.33922300   -0.59886700   -2.97857900
 Rh                 0.90201400   -0.02370500    0.06618400
 C                  0.89981300   -1.93109100    1.06751200
 C                  2.24342000   -1.37737700    1.05088000
 C                  2.63760800   -1.24461700   -0.31579400
 C                  0.47257000   -2.12210600   -0.27529600
 C                  1.53229300   -1.65458600   -1.14675000
 C                  2.27230300    4.07889900   -0.71793200
 H                  1.90949900    4.74558700   -1.49959500
 H                  2.16777800    4.58573800    0.24767900
 H                  3.32590200    3.84325100   -0.86796000
 O                 -0.13860900    1.15832300    1.68656700
 O                 -2.06532400    1.84795200    2.33220000
 C                 -4.15763300    0.18807400    1.55256600
 H                 -3.58740600    0.02867300    2.46866300
 H                 -4.89838600   -0.60839900    1.47189000
 H                 -4.69499400    1.13516600    1.66592500
 N                 -1.37717900    1.25394600    1.53261800
 C                  0.09894100   -2.24496900    2.28299000
 C                  3.06339500   -1.06337000    2.25488900
 C                 -0.81793600   -2.74807100   -0.68340300
 C                  1.52755600   -1.69656400   -2.63597500
 C                  3.94123400   -0.72001900   -0.80751500
 H                 -1.65938500   -2.31260400   -0.13855900
 H                 -1.00287400   -2.63035800   -1.75084300
 H                 -0.78021500   -3.81823800   -0.45457500
 H                 -0.96952300   -2.11552200    2.09611100
 H                  0.26900800   -3.29101400    2.56097500
 H                  0.39027700   -1.61882800    3.12820000
 H                  2.44188600   -0.66183100    3.05834500
 H                  3.54154200   -1.97770900    2.62216600
 H                  3.84459900   -0.33715300    2.02582600
 H                  4.34853500    0.03177400   -0.12998800
 H                  4.65580300   -1.54817900   -0.86888100
 H                  3.84368600   -0.27870400   -1.80028900
 H                  0.50934300   -1.71433700   -3.02649900
 H                  2.04482300   -0.83322100   -3.05996800
 H                  2.04171800   -2.60228900   -2.97528500
 C                 -5.17915600   -0.75846900   -1.03809600
 H                 -5.90075900   -0.02524300   -0.66486400
 H                 -5.41602100   -0.96875100   -2.08302600
 H                 -5.32759300   -1.68285100   -0.46885800

-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




