%nprocshared=20
%mem=8GB
#p opt=(ts,noeigentest,calcfc,maxstep=5) guess=always freq=noraman wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                 -1.91762700   -1.00000800    0.77852000
 C                 -4.68590200   -1.02752600    1.19408100
 C                 -0.44887800   -0.93297300    0.64627700
 C                  0.46414800   -0.00425200    0.74263800
 C                 -2.82369200   -0.64538700   -0.22902300
 C                 -4.21366800   -0.64140200   -0.06165400
 C                 -2.44362900   -1.40075900    2.00659500
 C                 -3.81732100   -1.41139600    2.20965600
 H                 -5.75638800   -1.02084900    1.37195600
 H                 -4.21468900   -1.71175500    3.17316600
 H                 -1.76568500   -1.69295700    2.80101100
 C                 -0.07392000    3.48791300    1.40354100
 C                 -0.75088500    2.49962100    2.19019300
 C                 -1.00059000    3.99303000    0.41532500
 H                 -0.33593500    1.95808800    3.02901400
 H                 -0.77609800    4.73895300   -0.33387600
 C                 -2.02637300    2.29471000    1.60092600
 H                 -2.77752600    1.59175200    1.93418600
 C                 -2.18108100    3.25404600    0.52535200
 H                 -3.03932600    3.32249600   -0.13033600
 H                  0.92970500    3.85662800    1.56534800
 Si                 2.25938200   -0.05006300    1.38704300
 Br                 0.15876500   -3.03177800    0.34152800
 C                  3.02701700    1.65608000    1.63748100
 H                  2.33922100    2.27093400    2.23019300
 C                  2.15545200   -0.70208900    3.16235100
 H                  1.55102900    0.01972600    3.72942000
 C                  3.39681800   -1.07300100    0.28231700
 H                  3.00621800   -2.09237500    0.18602200
 O                  0.93227000    2.16251400   -1.35867900
 C                  1.54812400    1.57049700   -2.29886800
 O                  1.53518500    0.35197600   -2.58350800
 Ag                 0.89707400   -1.62984400   -1.88177900
 C                  2.42128400    2.46179100   -3.15967500
 H                  3.47017600    2.23888000   -2.93876000
 H                  2.25096900    2.23892200   -4.21567400
 H                  2.23358800    3.51798000   -2.96518100
 Rh                -0.47823400    1.80267400    0.18009500
 O                 -1.40374000    0.64497700   -1.54781100
 O                 -2.73383000   -0.72264000   -2.52615200
 N                 -2.29307700   -0.22268100   -1.51473400
 C                  3.55410000    2.44060100    0.43394400
 C                  4.83837300   -1.12513200    0.80932400
 C                  1.65747000   -2.12000500    3.44226500
 H                  2.22916800   -2.86941800    2.88591800
 H                  1.74658000   -2.35976100    4.50764000
 H                  0.60518300   -2.24043500    3.16827300
 H                  4.19171400    1.81515300   -0.20187600
 H                  2.73872800    2.81523900   -0.18666900
 H                  4.15797300    3.29587200    0.75737300
 H                  5.28148900   -0.12626400    0.88059300
 H                  4.88482500   -1.57963100    1.80478400
 H                  5.47689900   -1.72157400    0.14935900
 C                 -5.17565000   -0.21089800   -1.13568200
 H                 -4.83745500    0.69193300   -1.65239800
 H                 -5.30233900   -0.99563500   -1.88605900
 H                 -6.14991600   -0.00298300   -0.69035800
 H                  3.17443900   -0.59077400    3.55832700
 H                  3.86504700    1.44428600    2.31752300
 H                  3.38337100   -0.63360700   -0.72462700

-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







