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

Title Card Required

1 1
 C                 -2.66632500    0.68794400    0.57536900
 C                 -1.72461000    0.89154800   -0.45577000
 C                 -4.04885700    0.66931000    0.39233700
 C                 -2.23263400    1.04880800   -1.75396200
 C                 -4.48913400    0.84221100   -0.92256100
 C                 -3.60168900    1.01594700   -1.97997000
 H                 -1.53456900    1.22622400   -2.56500800
 H                 -5.55734600    0.81899200   -1.11446600
 H                 -3.98543800    1.13402500   -2.98717500
 Rh                -0.99446800   -1.41604700   -0.16234800
 C                 -2.14779800   -3.40740800   -0.17459800
 H                 -2.94157000   -3.65452200    0.51634700
 C                 -0.72724800   -3.52385600    0.10603700
 H                 -0.29918700   -3.94449600    1.00700200
 C                 -0.00104700   -3.11728500   -1.05269900
 H                  1.06817600   -3.17292600   -1.18450900
 C                 -2.28068400   -2.80744300   -1.41900800
 H                 -3.20552800   -2.49006600   -1.88218000
 C                 -0.94684100   -2.55796400   -1.95430700
 H                 -0.73159700   -2.12682400   -2.92277600
 O                 -1.38297800   -0.61000500    1.95738100
 O                 -2.43302100    1.04992900    2.85651300
 C                 -5.01873300    0.44313500    1.51894500
 H                 -4.75380300   -0.43335800    2.11794800
 H                 -6.02097000    0.28664800    1.11679000
 H                 -5.04800700    1.30766300    2.18743500
 N                 -2.13426700    0.38069700    1.90012400
 Si                 2.36603500   -0.40813400    0.15050400
 C                  3.39484300    1.08744300    0.76584500
 C                  2.30000700   -1.80389900    1.44339900
 C                  2.95913800   -1.07757900   -1.53360700
 H                  2.73268100    1.63615500    1.44969000
 H                  1.49194800   -2.44321900    1.06592200
 H                  2.50693800   -2.07364000   -1.62259100
 C                  3.86340400    2.07493700   -0.31769800
 C                  4.63099300    0.64420700    1.57160300
 C                  2.44636800   -0.24685700   -2.72105500
 C                  4.47847600   -1.28785900   -1.62474000
 C                  1.84739200   -1.30584800    2.82409000
 C                  3.54577800   -2.69586100    1.53797100
 H                  2.74504100   -0.71087700   -3.66930500
 H                  1.35363300   -0.16265600   -2.72214600
 H                  2.85420100    0.76864900   -2.71317900
 H                  5.02243800   -0.33932700   -1.62791500
 H                  4.86983700   -1.88955200   -0.79859500
 H                  4.73182100   -1.80665200   -2.55742800
 H                  5.19276300    1.52531600    1.90514100
 H                  4.37911100    0.06634100    2.46295300
 H                  5.31131800    0.03970200    0.96146500
 H                  4.25234100    2.98735100    0.15200300
 H                  4.67701400    1.65330300   -0.91519800
 H                  3.07078900    2.37725900   -1.00416700
 H                  4.43565300   -2.14379900    1.85422500
 H                  3.38433300   -3.49601800    2.27203900
 H                  3.77361200   -3.17566100    0.58041800
 H                  0.93952400   -0.69653200    2.76127600
 H                  1.62698800   -2.15424100    3.48382700
 H                  2.61521200   -0.70397400    3.32039100
 C                  0.51676300   -0.00904200   -0.07785500
 C                 -0.25410600    1.06270700   -0.20532100
 I                  0.35993100    3.11846500   -0.24144000

-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







