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

Opt freq

1 1
 O                  0.36355200    2.40571300   -1.05992400
 C                  1.50413900    2.32034400   -0.53935800
 O                  1.94365200    1.26042800    0.01858800
 C                 -2.00838600    0.38336300    0.40792100
 C                 -1.15323700    0.31902400   -0.69615300
 C                 -3.36470000    0.09882600    0.32864600
 C                 -3.13112000   -0.33118500   -1.90662100
 H                 -0.25492400    1.21323300   -0.85060500
 H                 -3.61666900   -0.62146600   -2.83422500
 Rh                 0.79214700   -0.46379900    0.11470000
 C                  0.56663400   -2.52389100    0.77650600
 H                 -0.14941800   -2.82081100    1.53077000
 C                  1.91258400   -2.05600600    1.02479600
 H                  2.38368000   -1.95940600    1.99357900
 C                  2.50059300   -1.73867100   -0.22662100
 H                  3.48313800   -1.31028500   -0.37337700
 C                  0.33387100   -2.46877200   -0.61237100
 H                 -0.59617700   -2.70631300   -1.11066500
 C                  1.51442500   -1.93152400   -1.24420100
 H                  1.64539700   -1.74748300   -2.30165200
 C                  2.42767300    3.50349600   -0.55552200
 H                  1.96036200    4.35371800   -1.05068000
 H                  2.68328400    3.76580500    0.47455400
 H                  3.35304000    3.23156200   -1.06962600
 O                 -0.18676000    0.57834800    1.80912600
 O                 -2.11539300    1.13586100    2.58737200
 N                 -1.42679700    0.72525900    1.68631600
 H                 -4.00159600    0.14360500    1.20713100
 N                 -3.91809600   -0.26456300   -0.82696100
 C                 -1.76422600   -0.04905200   -1.89364300
 H                 -1.19240000   -0.09457500   -2.81374200

-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







