%nprocshared=20
%mem=2GB
%chk=CGET_0016_TSless.chk
# opt freq=noraman wb97xd/genecp scrf=(smd,solvent=dichloroethane) temperature=383.15

Title Card Required

1 1
 O                 -0.61770700    2.14082000    0.73281400
 C                 -1.35891300    2.62410500   -0.18283100
 O                 -1.90745800    1.81958100   -0.99452100
 C                  2.67808300    0.31802200   -0.59620800
 C                  2.38968200    1.20559400    0.43603500
 C                  3.74696200   -0.57383100   -0.55379100
 C                  3.20563900    1.18316000    1.56044600
 C                  4.53682300   -0.59291500    0.58847800
 C                  4.26759400    0.28318500    1.64041100
 H(Iso=2)           1.55426500    1.89309500    0.36566400
 H(Iso=2)           3.00842200    1.87137600    2.37486500
 H(Iso=2)           5.36258200   -1.29243400    0.65563200
 H(Iso=2)           4.89193600    0.26556400    2.52777200
 Rh                -0.86270200    0.12685000   -0.10087700
 C                 -0.46976800   -2.00123300   -0.21257100
 C                 -1.81465600   -1.71391500   -0.61062400
 C                 -2.48316700   -1.09261900    0.51114200
 C                 -0.27895700   -1.53558800    1.13283300
 C                 -1.53251600   -0.98436600    1.58577100
 C                 -1.53638200    4.10288000   -0.31277900
 H                 -0.63176300    4.52254900   -0.76479300
 H                 -2.39140900    4.33750700   -0.94722800
 H                 -1.65900400    4.55447700    0.67380900
 O                  0.67079700    0.75087200   -1.69769300
 O                  2.28730200   -0.10459400   -2.82248600
 N                  1.83500200    0.31172300   -1.77859500
 C                  0.55605700   -2.64663600   -1.07702700
 C                 -2.43134100   -2.02855700   -1.92993300
 C                  0.95602400   -1.67880900    1.95415200
 C                 -1.79165000   -0.39987300    2.92882900
 C                 -3.90596700   -0.65869800    0.54138300
 H                  1.85365000   -1.70322400    1.33376900
 H                  1.05219700   -0.86295400    2.67252700
 H                  0.90310600   -2.61941900    2.51330200
 H                  1.56575000   -2.48532700   -0.69660000
 H                  0.36990400   -3.72592100   -1.09362500
 H                  0.49597800   -2.28758600   -2.10733700
 H                 -1.67536200   -2.09137800   -2.71437100
 H                 -2.94733800   -2.99261800   -1.87025500
 H                 -3.16249500   -1.26890300   -2.21394800
 H                 -4.52785100   -1.50686000    0.84856200
 H                 -4.06031100    0.15405200    1.25266100
 H                 -4.24070700   -0.33236600   -0.44470700
 H                 -0.88391800    0.02799900    3.35712600
 H                 -2.55774400    0.37606200    2.88456500
 H                 -2.14526500   -1.19209800    3.59796400
 H(Iso=2)           3.93720500   -1.24475900   -1.38291000

-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




