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

Title Card Required

1 1
 C                  2.47561600    1.00327900   -0.09183400
 C                  2.06011600   -0.33764700   -0.11587400
 C                  3.68980700    1.45175100    0.47678200
 C                  2.90494600   -1.28784500    0.44331100
 C                  4.49742900    0.45481700    1.01616900
 C                  4.11734300   -0.88590900    0.99726200
 H                  2.62743400   -2.33567900    0.46184700
 H                  5.44479000    0.73686200    1.46346900
 H                  4.78056200   -1.63070500    1.42655800
 Rh                 0.27381800   -0.66921600   -0.99901200
 C                  0.78672700   -1.48044600   -2.94887100
 H                  1.55391100   -1.05805300   -3.58343200
 C                 -0.63359600   -1.20033500   -3.03543100
 H                 -1.08675900   -0.46945700   -3.69165400
 C                 -1.29229600   -1.96896800   -2.07622900
 H                 -2.35097800   -1.96273800   -1.86159300
 C                  0.97007000   -2.50043100   -1.97564200
 H                  1.91015000   -2.95342500   -1.69517400
 C                 -0.29083900   -2.72770200   -1.35215700
 H                 -0.48739300   -3.43344300   -0.55665700
 O                  0.54033200    1.40607800   -1.25935400
 O                  1.73103100    3.10657900   -0.73872900
 C                  4.14124800    2.88312300    0.52887600
 H                  4.22904400    3.31507700   -0.47168800
 H                  5.11465600    2.93848600    1.01978300
 H                  3.43412700    3.50514000    1.08390300
 N                  1.56626900    1.90891900   -0.70915400
 Si                -2.84075500    1.00038700    0.04572100
 C                 -3.23076400    2.02224900    1.57632800
 C                 -2.59180900    2.07678900   -1.47278100
 C                 -4.11721000   -0.34254100   -0.30324300
 H                 -2.36986600    2.67139800    1.77985700
 H                 -1.99003200    1.51617000   -2.19874800
 H                 -4.06507100   -0.58472400   -1.37267100
 C                 -3.59382800    1.21407700    2.82747400
 C                 -4.01586100   -1.62229900    0.53519400
 C                 -1.97553000    3.45698800   -1.21719500
 H                 -4.78314900   -2.34639600    0.24275600
 H                 -3.03984100   -2.10532600    0.41433200
 H                 -4.14422900   -1.41842900    1.60250900
 H                 -3.75864000    1.87151000    3.68728700
 H                 -4.51121000    0.63657400    2.67623900
 H                 -2.80056700    0.51013100    3.10229300
 H                 -0.99162400    3.38005300   -0.74687800
 H                 -1.84444300    4.00542900   -2.15587400
 H                 -2.61357300    4.06508500   -0.56779100
 C                 -1.25602300    0.08566000    0.49789500
 C                 -0.40783700   -0.56362100    1.13885200
 Br                 0.26782600   -1.30299300    2.66548500
 H                 -4.05869200    2.69487300    1.31375100
 H                 -3.58249100    2.19364000   -1.93334300
 H                 -5.10230300    0.12242200   -0.16017600

-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






