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

Title Card Required

1 1
 C                  1.91600600    1.51582200    0.01571500
 C                  4.49332400    2.35166300    0.70594500
 C                  0.53426900    1.10898100   -0.27972700
 C                 -0.44389900    0.43396100    0.23246800
 C                  3.05512600    0.78402000   -0.34908500
 C                  4.36241900    1.17054400   -0.02795800
 C                  2.10392200    2.69507700    0.73618800
 C                  3.38605900    3.10447100    1.07877600
 H                  5.48867700    2.67688800    0.99020000
 H                  3.52259100    4.01933300    1.64514500
 H                  1.23971200    3.28376100    1.02202600
 C                 -0.13226600   -1.35974900    3.17606900
 C                  0.57521500   -0.11155400    3.13724100
 C                  0.83651800   -2.42209300    3.00754700
 H                  0.14440000    0.87166600    3.26165900
 H                  0.60550000   -3.47742700    2.96029200
 C                  1.92156900   -0.39830000    2.80937000
 H                  2.70281200    0.33260600    2.64732500
 C                  2.08373400   -1.83934400    2.76705700
 H                  2.99839600   -2.36269900    2.52266200
 H                 -1.18254400   -1.49386600    3.39278600
 Si                -2.31737000    0.84870300    0.47866600
 C                 -3.26173300   -0.46747000    1.48539500
 H                 -2.89018500   -0.34571500    2.51367100
 C                 -2.11183300    2.40509800    1.58244100
 H                 -1.28034400    2.13372800    2.24903300
 C                 -3.14433900    1.20034200   -1.19513100
 H                 -2.38667900    1.74577600   -1.76958400
 O                 -0.21076400   -2.70066700    0.12651500
 C                 -0.65601100   -3.02583500   -1.01936900
 O                 -0.71161000   -2.32165400   -2.05155200
 Ag                -0.16358700   -0.27023700   -2.61494400
 C                 -1.19623600   -4.43852200   -1.09804600
 H                 -2.11923300   -4.49196800   -0.51099900
 H                 -1.41101000   -4.71674200   -2.13000400
 H                 -0.48349200   -5.14134600   -0.66003800
 Rh                 0.61931000   -1.09847700    1.22764400
 O                  2.00496800   -1.26814200   -0.62639200
 O                  3.53487900   -0.71746300   -2.02679600
 N                  2.86177200   -0.47179400   -1.05053100
 C                 -4.77211700   -0.15455300    1.50588600
 C                 -3.08499600   -1.93853500    1.09183700
 C                 -3.50624800   -0.07730400   -1.97073800
 C                 -4.37941200    2.11214100   -1.09484600
 C                 -3.30822700    2.73819000    2.48639400
 C                 -1.68030200    3.66324300    0.81601700
 H                 -5.26723000   -0.76870200    2.26758500
 H                 -5.00719200    0.88914900    1.72397600
 H                 -5.23233800   -0.40288300    0.54406100
 H                 -3.57378400    1.91275200    3.15373000
 H                 -3.06675800    3.60254200    3.11769200
 H                 -4.19689500    3.00349100    1.90301100
 H                 -2.49776700    4.06103500    0.20600200
 H                 -1.38937500    4.45371500    1.51881900
 H                 -0.83859200    3.48519500    0.14426600
 H                 -3.36815400   -2.11039800    0.04751700
 H                 -2.06187100   -2.28952600    1.21429700
 H                 -3.73524600   -2.56956300    1.71165100
 H                 -5.20445300    1.62382700   -0.56776000
 H                 -4.16842400    3.05478600   -0.58283900
 H                 -4.74105600    2.36075700   -2.10029600
 H                 -3.77248700    0.16484900   -3.00701400
 H                 -2.69537900   -0.81445200   -2.00021100
 H                 -4.37175300   -0.57698300   -1.52232900
 C                  5.58408300    0.37210900   -0.39576800
 H                  5.45733100   -0.69484400   -0.19005400
 H                  5.81351100    0.47974300   -1.45880000
 H                  6.44044900    0.73066300    0.17789500
 Cl                 0.16304200    2.37959500   -2.04240400

B 69 3 A

-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







