%nprocshared=20
%mem=8GB
#p opt=(maxstep=3) freq=noraman wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                 -2.52025000   -0.34871700    1.25111600
 C                 -2.15403500   -0.13906300   -0.09011000
 C                 -3.79061500   -0.03941200    1.77945700
 C                 -3.11529200    0.38717700   -0.95573500
 C                 -4.71466600    0.45319500    0.86334300
 C                 -4.39002100    0.64994100   -0.48168400
 H                 -2.86180000    0.57894300   -1.99204600
 H                 -5.71834300    0.67794500    1.20826600
 H                 -5.14786900    1.01988500   -1.16368900
 Rh                -0.57138700   -1.32471500   -0.73116800
 C                 -1.07145300   -3.32968900   -1.53284600
 H                 -1.64177800   -4.05062500   -0.96171100
 C                  0.37681300   -3.19029300   -1.50788600
 H                  1.05425200   -3.79460800   -0.92045200
 C                  0.72717700   -2.15376500   -2.38366500
 H                  1.72438000   -1.79230700   -2.58926600
 C                 -1.59234500   -2.37477600   -2.42261200
 H                 -2.63726600   -2.20190500   -2.63775800
 C                 -0.49273500   -1.57236700   -2.88107700
 H                 -0.55893100   -0.73835200   -3.56765100
 O                 -0.66714000   -1.67845000    1.41785400
 O                 -1.50206400   -0.93084000    3.25214600
 C                 -4.19230200   -0.26562000    3.20932000
 H                 -3.99223000   -1.29259100    3.52612900
 H                 -5.26053600   -0.06957900    3.32304900
 H                 -3.64122200    0.39313400    3.88432700
 N                 -1.53025400   -1.00302800    2.04206600
 Si                 2.49503000    0.04687500    0.46794600
 C                  2.92446600    1.47401900    1.64319600
 C                  2.70121100   -1.64396500    1.30502600
 C                  3.36885400    0.10263700   -1.21993400
 H                  2.17844700    1.40287000    2.44756100
 H                  2.01223800   -2.30338800    0.76076100
 H                  3.32901400   -0.93310100   -1.58521100
 C                  2.79376200    2.86047500    0.99837800
 C                  4.31590000    1.32204600    2.28163500
 C                  2.67273900    1.00312700   -2.25058000
 C                  4.85474400    0.47600400   -1.10345500
 C                  2.26474800   -1.63420300    2.77696700
 C                  4.11174600   -2.23106700    1.15102900
 H                  3.19591900    0.95782000   -3.21395400
 H                  1.63176700    0.71214800   -2.42420600
 H                  2.67226500    2.05075700   -1.92805200
 H                  4.98203200    1.52159500   -0.80308500
 H                  5.39166000   -0.14652600   -0.38052500
 H                  5.35280900    0.35521800   -2.07352400
 H                  4.47172900    2.10640000    3.03221700
 H                  4.45198700    0.35996700    2.78391700
 H                  5.11142500    1.42306100    1.53773300
 H                  2.96567600    3.64681300    1.74326000
 H                  3.53355000    3.00014800    0.20115100
 H                  1.80332200    3.02652900    0.56677300
 H                  4.87266000   -1.60285100    1.62855200
 H                  4.16859800   -3.21967900    1.62189500
 H                  4.39273000   -2.35261700    0.09979600
 H                  1.25693000   -1.23083400    2.90741900
 H                  2.26094300   -2.65272200    3.18248000
 H                  2.94508900   -1.04179800    3.39727200
 C                  0.66627200    0.20608400    0.05757700
 C                 -0.39690400    0.85463400   -0.20553500
 I                 -0.85856500    2.78947700   -0.72789000

-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
****
-I
LANL2DZ
D 1 1.0
0.289 1.0
****

-Br -Rh -Ag -I
LANL2DZ







