%nprocshared=12
%mem=2GB
#p opt=(maxstep=3) freq=noraman wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                  3.68302900    1.84355000   -1.72543000
 C                  4.41440200    2.10842400   -0.72627000
 O                  4.45115700    1.39369600    0.31999200
 C                  0.83640700    0.04262800   -1.00897900
 C                  2.15625100   -0.24274400   -1.39015600
 C                 -0.29655200   -0.57376500   -1.55843100
 C                  2.33214300   -1.18739600   -2.40569800
 C                 -0.05501600   -1.53259400   -2.55830000
 C                  1.23401000   -1.82618300   -2.98077800
 H                  3.03422600    0.81005700   -1.47194100
 H                  3.33632100   -1.41406800   -2.75005600
 H                 -0.90559100   -2.04186100   -2.99725900
 H                  1.38116500   -2.56476800   -3.76257400
 Rh                 3.28362500   -0.31073400    0.55417100
 C                  2.59193000   -1.90654200    1.85866300
 H                  1.57201000   -1.96655700    2.21328300
 C                  3.66539100   -1.17483200    2.49132700
 H                  3.59511300   -0.61489900    3.41377600
 C                  4.82277300   -1.32207400    1.68635300
 H                  5.77997900   -0.84702100    1.85974100
 C                  3.08925300   -2.47312900    0.66533200
 H                  2.51502300   -3.04204900   -0.05285300
 C                  4.46815900   -2.07508300    0.52366600
 H                  5.12669700   -2.33655000   -0.29323000
 C                  5.26609100    3.34303900   -0.75529600
 H                  5.71383100    3.46948500   -1.74283200
 H                  4.61995400    4.20661400   -0.56375900
 H                  6.03614900    3.29869300    0.01434400
 O                  1.66496200    1.14216000    0.84837700
 O                 -0.28609900    1.70914600    0.14933800
 N                  0.70002000    1.02308700    0.05026100
 C                 -1.63207300   -0.33920700   -1.11724000
 C                 -2.78327200   -0.18813000   -0.75383800
 Si                -4.50265400    0.06076700   -0.08550000
 C                 -5.61865900   -1.05378900   -1.13995300
 C                 -4.94667600    1.89327000   -0.31877600
 C                 -4.36277600   -0.51993300    1.71773800
 H                 -3.88105600   -1.50583000    1.63805600
 C                 -5.34250300   -2.54092400   -0.87709900
 H                 -5.92748400   -3.17198100   -1.55718500
 H                 -4.28494300   -2.78966500   -1.02207700
 H                 -5.61487400   -2.82571500    0.14586600
 C                 -5.71242000   -0.72346800    2.42133300
 H                 -5.56007500   -1.12880600    3.42948800
 H                 -6.26023200    0.21829400    2.52888700
 H                 -6.35636400   -1.42455700    1.88184000
 C                 -3.43979300    0.38315600    2.54906900
 H                 -3.26404300   -0.05260200    3.54039900
 H                 -2.46450700    0.52904600    2.07146800
 H                 -3.88562500    1.37220900    2.70283000
 C                 -3.74352900    2.84032100   -0.20359900
 H                 -4.05500600    3.87797000   -0.37657100
 H                 -3.29214100    2.79629000    0.79359900
 H                 -2.96204100    2.60096900   -0.93034300
 C                 -6.07377000    2.34276100    0.62489900
 H                 -5.73262200    2.35654500    1.66599300
 H                 -6.39804400    3.36051600    0.37591600
 H                 -6.95447400    1.69466600    0.57249500
 H                 -5.32676800    1.95926600   -1.34920000
 C                 -7.11508800   -0.73049300   -1.02268500
 H                 -7.33143600    0.30593400   -1.30165100
 H                 -7.70059700   -1.37759600   -1.68754700
 H                 -7.49164400   -0.88746100   -0.00603900
 H                 -5.31949600   -0.83714500   -2.17629100

-C -H -O -Si -N -F
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




