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

Title Card Required

1 1
 C                 -2.10233300    0.75399600    0.51132000
 C                 -1.24324100    1.16987400   -0.52537200
 C                 -3.48680000    0.59403600    0.37666600
 C                 -1.83342100    1.42785000   -1.76892300
 C                 -4.01068100    0.85418100   -0.88749500
 C                 -3.19964100    1.26757300   -1.94350500
 H                 -1.20480700    1.76320300   -2.58705000
 H                 -5.07711800    0.72836500   -1.04347900
 H                 -3.64395000    1.46534400   -2.91287200
 Rh                -0.32827300   -1.32837600   -0.12578300
 C                 -0.74372700   -3.58300100    0.11215800
 H                 -1.26793500   -4.02120500    0.95041600
 C                  0.65979400   -3.17174200    0.12142700
 H                  1.36192100   -3.34297600    0.92664700
 C                  0.98175100   -2.65883700   -1.17415900
 H                  1.95044900   -2.31370900   -1.50747300
 C                 -1.29179800   -3.19689200   -1.09792000
 H                 -2.33068400   -3.27316000   -1.38858100
 C                 -0.24461200   -2.54440600   -1.87878800
 H                 -0.36869500   -2.13211800   -2.87162800
 O                 -0.74982700   -0.50171400    1.91140200
 O                 -1.79856400    1.17154500    2.77247600
 C                 -4.35971800    0.15839100    1.52050500
 H                 -3.94579500   -0.71422600    2.03563600
 H                 -5.35166000   -0.10537300    1.15086600
 H                 -4.47000900    0.96097400    2.25525500
 N                 -1.51671800    0.47861800    1.82976100
 C                  0.96138400    0.23682900   -0.11614300
 C                  0.22484600    1.32648300   -0.31194400
 Br                 0.88346500    3.13509500   -0.31655300
 C                  2.40394400    0.09382100    0.10953100
 C                  2.86338100   -0.56124000    1.26005500
 C                  3.33227400    0.56769100   -0.82518700
 C                  4.22675200   -0.71866800    1.48118500
 H                  2.14520000   -0.93761200    1.98286100
 C                  4.69608400    0.39671000   -0.60558400
 H                  2.98358700    1.06292400   -1.72594000
 C                  5.14628000   -0.24215000    0.54772700
 H                  4.57284100   -1.21648700    2.38163600
 H                  5.40836900    0.76518800   -1.33719600
 H                  6.21038600   -0.37251700    0.71782100

-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









