%nprocshared=8
%mem=2GB
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                  2.35490700   -0.42212700    0.80390300
 C                  1.76539000   -0.02569300   -0.41048700
 C                  3.65274200   -0.95820600    0.90823700
 C                  2.53229600   -0.11411900   -1.57320000
 C                  4.37438000   -1.01318500   -0.28304700
 C                  3.83546900   -0.58193000   -1.49593800
 H                  2.10349100    0.17189200   -2.52764300
 H                  5.38855200   -1.39774400   -0.25658000
 H                  4.44195700   -0.62621700   -2.39469100
 Rh                 0.20948200    1.35401800   -0.17618800
 C                  0.81208600    3.48668100   -0.09073600
 H                  1.56479000    3.84775400    0.59685800
 C                 -0.60977800    3.37945400    0.19826000
 H                 -1.08089100    3.65158600    1.13318200
 C                 -1.25496400    2.87509900   -0.94274400
 H                 -2.31095000    2.67484500   -1.05132300
 C                  1.02582800    3.04045400   -1.40338400
 H                  1.97947800    2.95912400   -1.90573400
 C                 -0.23592900    2.56936700   -1.91151600
 H                 -0.40361700    2.14502900   -2.89249200
 O                  0.65442800    0.69612400    1.85620000
 O                  1.71694500   -0.77528400    3.00568400
 C                  4.28536700   -1.41936600    2.19049900
 H                  4.23048600   -0.65343100    2.96889000
 H                  5.33525600   -1.65774400    2.01127700
 H                  3.78479000   -2.31045000    2.57733700
 N                  1.55412500   -0.18035600    1.96349500
 Si                -2.76286900   -0.42939600    0.74456300
 C                 -3.12856700   -2.25392900    1.04389400
 C                 -2.79692300    0.53336100    2.35825000
 C                 -3.90339500    0.33147600   -0.55037600
 H                 -2.25819300   -2.70633500    1.53548500
 H                 -2.32210500    1.50848400    2.18987700
 H                 -4.00302300    1.40498800   -0.34749300
 C                 -3.51755700   -3.06478900   -0.19775100
 C                 -3.48779700    0.10122100   -2.00895600
 C                 -2.14080900   -0.18146200    3.54586100
 H                 -4.21483400    0.53559100   -2.70312200
 H                 -2.51296200    0.55298500   -2.22271700
 H                 -3.40592400   -0.96489300   -2.24225500
 H                 -3.71214100   -4.11167000    0.05798000
 H                 -4.42375200   -2.66780700   -0.66686700
 H                 -2.72498600   -3.05612000   -0.95292800
 H                 -1.08300400   -0.38641400    3.35576300
 H                 -2.19756100    0.42655100    4.45501300
 H                 -2.63422000   -1.13524100    3.75966100
 C                 -1.02663400   -0.33291400    0.03119400
 C                 -0.04662400   -0.82901700   -0.61724000
 Br                 0.21772000   -2.29449200   -1.74774300
 H                 -3.94193700   -2.29519500    1.78144200
 H                 -3.85088700    0.74479400    2.58463900
 H                 -4.90130300   -0.09287600   -0.37584100

-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






