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

Title Card Required

1 1
 C                  2.14189100   -1.16310400    0.46124700
 C                  1.13243100   -1.23193000   -0.52206700
 C                  3.50654000   -1.32002000    0.21126400
 C                  1.55279500   -1.46065600   -1.84080600
 C                  3.85730500   -1.55242700   -1.12021900
 C                  2.90138200   -1.61429500   -2.13067400
 H                  0.80421100   -1.53615500   -2.62239200
 H                  4.90797800   -1.67080300   -1.36493700
 H                  3.21301100   -1.78695400   -3.15490300
 Rh                 0.77879500    1.20966800   -0.12664300
 C                  2.00742500    3.13783300    0.00275700
 H                  2.76930300    3.31817400    0.74860000
 C                  0.57371300    3.29699700    0.21155700
 H                  0.11131300    3.69467000    1.10557100
 C                 -0.09547700    2.96840600   -1.00476600
 H                 -1.15414500    3.05104600   -1.19985500
 C                  2.19637100    2.60832200   -1.26363900
 H                  3.13556100    2.28765400   -1.69381900
 C                  0.88566500    2.41892900   -1.87577100
 H                  0.70949300    2.02996300   -2.86972700
 O                  1.16525400    0.30167700    1.93434200
 O                  1.95013100   -1.53857700    2.74460900
 C                  4.54687200   -1.20922400    1.29098400
 H                  4.37237000   -0.34155400    1.93433200
 H                  5.53626700   -1.10549500    0.84323300
 H                  4.54925500   -2.10080300    1.92430600
 N                  1.72839500   -0.80290200    1.81676600
 Si                -2.67452600    0.61424500    0.27787100
 C                 -3.76901100   -0.71170400    1.07715700
 C                 -2.63916800    2.09592800    1.44416300
 C                 -3.33560300    1.12897100   -1.41899600
 H                 -3.15106600   -1.37332300    1.69549300
 H                 -2.14706900    2.94751300    0.96073200
 H                 -3.03468800    2.16296700   -1.62792500
 C                 -4.65455000   -1.54163700    0.13940300
 C                 -2.91945300    0.22408900   -2.58487000
 C                 -1.98988800    1.80776100    2.80269300
 H                 -3.38418800    0.54373100   -3.52363000
 H                 -1.83358000    0.24094400   -2.73038000
 H                 -3.20639600   -0.81846800   -2.41339800
 H                 -5.29579600   -2.22324700    0.70878800
 H                 -5.30936500   -0.90495300   -0.46450300
 H                 -4.06137100   -2.15095000   -0.54847300
 H                 -0.93852900    1.52211400    2.69126300
 H                 -2.02758600    2.68056500    3.46342100
 H                 -2.49461300    0.98456600    3.32072600
 C                 -0.89481100    0.02773100    0.00861000
 C                 -0.32968900   -1.15405100   -0.19859600
 Br                -1.20620100   -2.88291900   -0.21975500
 H                 -4.41240200   -0.16739400    1.78227900
 H                 -3.68323700    2.40471900    1.59019600
 H                 -4.43041300    1.15916000   -1.34036800

-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






