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

Title Card Required

1 1
 C                 -0.71058700    1.12383200   -0.24574300
 C                  0.35801600    0.49958800   -0.27330000
 C                 -1.10128200   -2.67823700   -1.54307500
 C                 -1.61555000   -1.48953400   -2.12055600
 C                 -2.02912800   -3.11223000   -0.52881200
 H                 -1.13121500   -0.88975000   -2.87913700
 H                 -1.91572100   -3.97915700    0.10769100
 C                 -2.84450400   -1.16528200   -1.46100800
 H                 -3.46641600   -0.30418300   -1.66224900
 C                 -3.11268100   -2.19428400   -0.50718500
 H                 -3.94368600   -2.21297700    0.18585800
 H                 -0.16549900   -3.15822700   -1.79478500
 Si                 2.20732800    0.12419500   -0.23240900
 C                  2.72328200    0.18527300    1.59258600
 H                  2.46749300   -0.81193200    1.97509300
 C                  2.42535400   -1.58961200   -1.00457500
 H                  1.64884000   -2.20402400   -0.52975300
 C                  2.91488800    1.51129400   -1.31859800
 H                  2.33122100    1.45795200   -2.24923700
 O                  0.13221100   -1.78138100    1.53007100
 C                 -0.55513000   -1.18026800    2.41734400
 O                 -1.61189700   -0.59402300    2.02451800
 C                 -0.15085800   -1.19130400    3.85219000
 H                  0.92614200   -1.33886700    3.94170700
 H                 -0.45439800   -0.26377500    4.33954600
 H                 -0.65949800   -2.02494300    4.34764400
 Rh                -1.23271500   -1.17905900   -0.00454700
 C                  4.23755600    0.39014100    1.76434300
 C                  1.95584400    1.22217400    2.42676200
 C                  2.69530000    2.90233000   -0.70730100
 C                  4.39211200    1.30463300   -1.68928800
 C                  3.77941900   -2.24023800   -0.68883300
 C                  2.15808200   -1.56184200   -2.51569900
 H                  4.52033300    0.25844600    2.81570400
 H                  4.83343800   -0.31284700    1.17401400
 H                  4.53307600    1.40419700    1.47346200
 H                  3.92348200   -2.37664900    0.38766200
 H                  3.84575000   -3.23004300   -1.15677900
 H                  4.61903800   -1.64669900   -1.06693500
 H                  2.95092500   -1.02872900   -3.05157700
 H                  2.11865200   -2.57854800   -2.92519900
 H                  1.21072300   -1.06870300   -2.76025000
 H                  2.20791500    2.24393200    2.12305900
 H                  0.87063500    1.11818400    2.33679300
 H                  2.21352200    1.12509800    3.48819800
 H                  5.04175400    1.33657800   -0.80870500
 H                  4.56355400    0.34930900   -2.19462000
 H                  4.72559700    2.09855200   -2.36873600
 H                  3.01998200    3.68363200   -1.40498000
 H                  1.64213000    3.08990200   -0.46928800
 H                  3.27425900    3.02638900    0.21428700
 I                 -2.12199500    2.53097000   -0.21249800

-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









