%nprocshared=12
%mem=2GB
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                 -1.94470300   -0.91182000    0.82204200
 C                 -4.70531600   -0.88949800    1.26182600
 C                 -0.48485300   -0.85217400    0.67113800
 C                  0.48020600    0.00276400    0.76987700
 C                 -2.85205100   -0.55787300   -0.18550100
 C                 -4.23965300   -0.52994800   -0.00485300
 C                 -2.46249100   -1.28441900    2.06221300
 C                 -3.83458500   -1.27139700    2.27603100
 H                 -5.77384600   -0.86221300    1.44913600
 H                 -4.22853900   -1.54956700    3.24754600
 H                 -1.78095900   -1.57490000    2.85415500
 C                  0.08241700    3.55383600    1.29073600
 C                 -0.59895800    2.61934400    2.13644800
 C                 -0.84692800    4.02209300    0.29095500
 H                 -0.17430600    2.10629600    2.98835200
 H                 -0.62230400    4.72285900   -0.50060800
 C                 -1.89594800    2.41861100    1.58975000
 H                 -2.65453700    1.74910300    1.97219500
 C                 -2.04644800    3.31934400    0.46723000
 H                 -2.91452500    3.37250400   -0.17702600
 H                  1.10189200    3.89441500    1.40938400
 Si                 2.27108400   -0.09415300    1.41527400
 Br                 0.03151900   -3.06591500    0.27769300
 C                  3.09786900    1.58779800    1.63670300
 H                  2.41947600    2.24878700    2.18950100
 C                  2.11745300   -0.72904600    3.19051900
 H                  1.53902500    0.02116600    3.74764400
 C                  3.35829700   -1.18088700    0.32500400
 H                  2.90689100   -2.17360200    0.21875000
 O                  1.05507100    2.06833400   -1.36227400
 C                  1.59561000    1.46552000   -2.34212200
 O                  1.47571900    0.26472200   -2.67250900
 Ag                 0.82253100   -1.65914200   -1.84168300
 C                  2.51686000    2.31926300   -3.19037100
 H                  3.55230800    2.06803400   -2.93707800
 H                  2.36839500    2.09089700   -4.24799600
 H                  2.35784000    3.38242700   -3.00846500
 Rh                -0.40068400    1.82906400    0.15577400
 O                 -1.41286600    0.68090600   -1.53782100
 O                 -2.78970500   -0.66295700   -2.48159700
 N                 -2.32402400   -0.16321800   -1.48182300
 C                  3.68587200    2.30636500    0.41978000
 C                  4.78282700   -1.31949900    0.88283100
 C                  1.53898400   -2.12062000    3.44472200
 H                  2.09869400   -2.89698500    2.91365100
 H                  1.56346300   -2.36535900    4.51238800
 H                  0.49754000   -2.18863300    3.11631000
 H                  4.32243900    1.63775400   -0.17135300
 H                  2.90071700    2.67881200   -0.24021600
 H                  4.30616600    3.15570500    0.72736600
 H                  5.27609300   -0.34693100    0.98414400
 H                  4.77991500   -1.79323800    1.87021000
 H                  5.40493000   -1.93685200    0.22653700
 C                 -5.20710200   -0.09966700   -1.07386200
 H                 -4.86220400    0.79206200   -1.60519200
 H                 -5.35242200   -0.89191500   -1.81282200
 H                 -6.17352000    0.12695500   -0.62075700
 H                  3.13357100   -0.67153900    3.60485200
 H                  3.90866700    1.36708700    2.34617700
 H                  3.39093000   -0.74018800   -0.68081100

-C -H -O -Si -N -F -Cl
6-311++G(d,p)
****
-Br
LANL2DZ
D 1 1.0
0.428 1.0
****
-I
LANL2DZ
D 1 1.0
0.289 1.0
****
-Rh  
S   1   1.00
      2.6460000              1.0000000
S   1   1.00
      1.7510000              1.0000000
S   1   1.00
      0.5713000              1.0000000
S   1   1.00
      0.1438000              1.0000000
S   1   1.00
      0.0428000              1.0000000
P   1   1.00
      5.4400000              1.0000000
P   1   1.00
      1.3290000              1.0000000
P   1   1.00
      0.4845000              1.0000000
P   1   1.00
      0.0869000              1.0000000
P   1   1.00
      0.0257000              1.0000000
D   2   1.00
      3.6690000              0.0760059
      1.4230000              0.5158852
D   1   1.00
      0.5091000              1.0000000
D   1   1.00
      0.1610000              1.0000000
F   1   1.00
      1.3500000              1.0000000
****
-Ag     
S   1   1.00
      2.9500000              1.0000000
S   1   1.00
      2.1490000              1.0000000
S   1   1.00
      0.6684000              1.0000000
S   1   1.00
      0.0997000              1.0000000
S   1   1.00
      0.0347000              1.0000000
P   1   1.00
      6.5530000              1.0000000
P   1   1.00
      1.5650000              1.0000000
P   1   1.00
      0.5748000              1.0000000
P   1   1.00
      0.0833000              1.0000000
P   1   1.00
      0.0252000              1.0000000
D   2   1.00
      3.3910000              0.1396938
      1.5990000              0.4744421
D   1   1.00
      0.6282000              1.0000000
D   1   1.00
      0.2108000              1.0000000
F   1   1.00
      1.6110000              1.0000000
****

-Br
LANL2DZ
-I
LANL2DZ
-Rh
RH-ECP     3     28
f potential
  5
0    600.3243032             -0.0538958
1    157.6910176            -20.1316282
2     49.8841995           -105.3654121
2     15.5966895            -42.3274370
2      5.5099296             -3.6654043
s-f potential
  5
0     59.3442526              2.9753728
1     83.7426061             25.1230306
2     18.4530248            626.0926145
2     12.4194606           -812.2549385
2      8.8172913            467.3729340
p-f potential
  5
0     53.4309068              4.9537213
1     65.6671843             20.4871116
2     16.8369862            598.0120139
2     11.3042136           -718.4059028
2      8.0312444            382.8173151
d-f potential
  4
0     64.3993653              3.0279532
1     43.4625053             24.7526516
2     19.4020301            142.6844289
2      4.6879328             32.1406857
-Ag
AG-ECP     3     28
f potential
  5
0    568.7006237             -0.0587930
1    162.3579066            -20.1145146
2     51.1025755           -104.2733114
2     16.9205822            -40.4539787
2      6.1669596             -3.4420009
s-f potential
  5
0     76.0974658              2.9861527
1     15.3327359             35.1576460
2     18.7715345            450.1809906
2     13.3663294           -866.0248308
2      9.8236948            523.1110176
p-f potential
  5
0     56.3318043              4.9640671
1     69.0609098             21.5028219
2     19.2717998            546.0275453
2     12.5770654           -600.3822556
2      8.7956670            348.2949289
d-f potential
  5
0     53.4641078              3.0467486
1     40.1975457             23.3656705
2     11.9086073            777.2540117
2      9.7528183          -1238.8602423
2      8.1788997            608.0677121






