%nprocshared=12
%mem=2GB
%chk=CGET_0017_I1_CH_H_Cpstar_29.chk
#p opt freq=noraman wb97xd/genecp scrf=(solvent=dichloroethane,smd)

Title Card Required

1 1
 O                  0.02407900    2.95008800    0.77791500
 C                 -1.16031000    2.92043900    0.31414000
 O                 -1.71497400    1.86528900   -0.09771800
 C                  2.21396100    0.47628100   -0.16882700
 C                  1.24776200    0.66022900    0.83392800
 C                  3.49366000   -0.05823900    0.03166700
 C                  1.62575500    0.33490100    2.13734300
 C                  3.78978900   -0.39865200    1.35863100
 C                  2.88869900   -0.19101300    2.39715600
 H                  0.46492600    1.85020000    0.77183100
 H                  0.92425900    0.49549500    2.95093300
 H                  4.76198200   -0.83358400    1.57125500
 H                  3.17369400   -0.45222000    3.41168600
 Rh                -0.70996300    0.00105000   -0.10006600
 C                 -0.72888800   -2.00908800   -0.88167700
 C                 -2.03126600   -1.38498900   -1.05797200
 C                 -2.54402700   -1.08280500    0.24101500
 C                 -0.43978400   -2.06574200    0.50845700
 C                 -1.54360200   -1.44263300    1.21439600
 C                 -1.92885300    4.20519800    0.22495100
 H                 -1.55830400    4.93149800    0.94780700
 H                 -1.79117900    4.61421100   -0.78206500
 H                 -2.99219900    4.01820200    0.37439500
 O                  0.55780500    0.92586400   -1.73203800
 O                  2.59569500    1.22740000   -2.33385700
 C                  4.51326400   -0.30729500   -1.04393400
 H                  4.07299300   -0.77928600   -1.92607800
 H                  5.29894800   -0.96007700   -0.65809400
 H                  4.97172800    0.62892100   -1.37405700
 N                  1.78752800    0.89236900   -1.49724000
 C                  0.15708800   -2.50312300   -1.97147700
 C                 -2.70998300   -1.16984400   -2.36656200
 C                  0.76469200   -2.70775700    1.10763100
 C                 -1.68305100   -1.31020000    2.69157800
 C                 -3.84863900   -0.43882900    0.55353100
 H                  1.68052400   -2.37651100    0.61142700
 H                  0.85029500   -2.49204600    2.17215300
 H                  0.68439500   -3.79236100    0.98061400
 H                  1.20987000   -2.42244200   -1.69146400
 H                 -0.06185300   -3.56026900   -2.15874700
 H                 -0.00466800   -1.95490600   -2.90117100
 H                 -1.99393000   -0.87180800   -3.13536600
 H                 -3.18709400   -2.10180800   -2.69058700
 H                 -3.47830300   -0.39849700   -2.29553900
 H                 -4.26484300    0.06632800   -0.31822200
 H                 -4.55568900   -1.20984200    0.87797600
 H                 -3.74690000    0.28861100    1.36134500
 H                 -0.70888500   -1.24326600    3.17813600
 H                 -2.26332200   -0.42307900    2.95373000
 H                 -2.20524400   -2.18844600    3.08751700

-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




