%nprocshared=20
%mem=8GB
#p opt freq=noraman wb97xd/genecp scrf=(solvent=dichloroethane,smd)

Title Card Required

0 1
 C                 -1.56456923   -2.35271394    1.93279535
 C                 -3.85308897   -3.95297110    1.87149703
 C                 -0.43270294   -1.43341227    2.04898918
 C                  0.55835606   -0.62847427    2.15072818
 C                 -2.35833574   -2.46356737    0.78302628
 C                 -3.51554015   -3.24715266    0.71473042
 C                 -1.92929873   -3.09758457    3.05432000
 C                 -3.06796916   -3.89200301    3.01791725
 H                 -4.75425789   -4.55698987    1.86699139
 H                 -3.35489007   -4.45781295    3.89718024
 H                 -1.32044029   -3.03900185    3.94864152
 Si                 2.02926868    0.56620079    2.30172744
 C                  1.56300074    2.37448244    2.04015426
 H                  0.67979756    2.60613814    2.64893163
 C                  2.51783663    0.49983238    4.12597298
 H                  1.65296624    0.86145462    4.70054158
 C                  3.42845064    0.10318652    1.13074347
 H                  3.72568566   -0.93790171    1.30097566
 O                 -1.72477593   -0.48261295   -0.27392252
 O                 -1.93826007   -2.24954745   -1.46661645
 N                 -1.98400413   -1.69354448   -0.39330775
 C                  1.39837188    2.91147361    0.61679400
 C                  4.64681864    1.02402015    1.29982497
 C                  3.01935233   -0.81610160    4.71904543
 H                  3.89132707   -1.19826395    4.18030883
 H                  3.30785426   -0.68710959    5.76887831
 H                  2.25001194   -1.59317893    4.68187681
 H                  2.25114657    2.63643947   -0.01586632
 H                  0.49883714    2.51613574    0.14269461
 H                  1.33411343    4.00546871    0.61392785
 H                  4.39097353    2.07406044    1.12025413
 H                  5.06277361    0.95290674    2.31087372
 H                  5.44416183    0.75568070    0.59982460
 C                 -4.39995229   -3.31578937   -0.50075532
 H                 -4.56256978   -2.33049137   -0.94629031
 H                 -3.96364266   -3.96120902   -1.26757513
 H                 -5.37106215   -3.72705209   -0.21988345
 H                  3.28506433    1.27630362    4.24744271
 H                  2.38677373    2.91257057    2.53204245
 H                  3.05497783    0.16061903    0.09967766

-C -H -O -Si -N -F -Cl
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









