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

Opt freq

1 1
 O                  0.24671400    2.35788300   -1.10553300
 C                  1.39452400    2.34352200   -0.59523400
 O                  1.88668800    1.32547100   -0.00270700
 C                 -2.03613000    0.33278600    0.41312400
 C                 -1.17775600    0.22529900   -0.68673300
 C                 -3.39136300    0.04709900    0.34126800
 C                 -3.85546700   -0.39124700   -0.88825600
 C                 -2.95204500   -0.51184400   -1.94827300
 H                 -0.30251600    1.13913300   -0.85788200
 H                 -4.89915700   -0.64412400   -1.03061900
 H                 -3.29888300   -0.87068400   -2.91313700
 Rh                 0.80691500   -0.44144400    0.13262400
 C                  0.71149700   -2.49547400    0.85795800
 H                  0.04224800   -2.80385500    1.64999100
 C                  2.04151700   -1.95825300    1.03799700
 H                  2.54756600   -1.81787500    1.98337600
 C                  2.56047200   -1.64793000   -0.24477500
 H                  3.51420100   -1.17811000   -0.44525200
 C                  0.41441000   -2.48319100   -0.51962400
 H                 -0.52203900   -2.77672500   -0.97364800
 C                  1.54212500   -1.91042500   -1.21405600
 H                  1.61671900   -1.74139500   -2.27945100
 C                  2.26669900    3.56306100   -0.66573400
 H                  1.75131500    4.38143300   -1.16681900
 H                  2.54517900    3.86031800    0.34860500
 H                  3.18543000    3.31525100   -1.20401400
 O                 -0.21218900    0.63974800    1.79168000
 O                 -2.14686200    1.21566800    2.54007400
 N                 -1.45354800    0.75911500    1.66470800
 N                 -1.65480800   -0.20671500   -1.86456200
 H                 -4.03844900    0.14422900    1.20565300

-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







