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

Title Card Required

1 1
 C                 -2.51225000   -0.33671700    1.25511600
 C                 -2.12703500   -0.09006300   -0.07811000
 C                 -3.78661500   -0.04141200    1.77745700
 C                 -3.10329200    0.40417700   -0.95073500
 C                 -4.71166600    0.44819500    0.85934300
 C                 -4.38502100    0.64294100   -0.48468400
 H                 -2.84680000    0.60994300   -1.98404600
 H                 -5.71734300    0.66794500    1.20226600
 H                 -5.14486900    1.00088500   -1.17168900
 Rh                -0.56738700   -1.33071500   -0.73416800
 C                 -1.07345300   -3.33468900   -1.53684600
 H                 -1.64277800   -4.05562500   -0.96571100
 C                  0.37481300   -3.19029300   -1.50588600
 H                  1.05225200   -3.79460800   -0.91845200
 C                  0.72717700   -2.15376500   -2.38366500
 H                  1.72338000   -1.79230700   -2.58926600
 C                 -1.59334500   -2.38077600   -2.42461200
 H                 -2.63826600   -2.20790500   -2.64075800
 C                 -0.49273500   -1.57536700   -2.88107700
 H                 -0.55993100   -0.73935200   -3.56465100
 O                 -0.67014000   -1.67945000    1.42085400
 O                 -1.50106400   -0.92984000    3.25614600
 C                 -4.19230200   -0.26962000    3.20632000
 H                 -3.99123000   -1.29659100    3.52412900
 H                 -5.26053600   -0.07457900    3.31804900
 H                 -3.64322200    0.39013400    3.88232700
 N                 -1.52825400   -1.00002800    2.04606600
 Si                 2.48603000    0.04987500    0.46594600
 C                  2.92246600    1.47501900    1.64219600
 C                  2.69821100   -1.64196500    1.30402600
 C                  3.36585400    0.10363700   -1.21993400
 H                  2.17644700    1.40487000    2.44756100
 H                  2.00923800   -2.30338800    0.76076100
 H                  3.32601400   -0.93210100   -1.58521100
 C                  2.79376200    2.86147500    0.99837800
 C                  4.31390000    1.32104600    2.28063500
 C                  2.67173900    1.00412700   -2.25158000
 C                  4.85274400    0.47600400   -1.10245500
 C                  2.26374800   -1.63320300    2.77696700
 C                  4.10974600   -2.22806700    1.14902900
 H                  3.19391900    0.95682000   -3.21495400
 H                  1.62976700    0.71514800   -2.42420600
 H                  2.67326500    2.05175700   -1.93005200
 H                  4.98003200    1.52159500   -0.80308500
 H                  5.38866000   -0.14652600   -0.37952500
 H                  5.34980900    0.35421800   -2.07252400
 H                  4.47072900    2.10540000    3.03121700
 H                  4.44998700    0.35896700    2.78191700
 H                  5.10942500    1.42206100    1.53573300
 H                  2.96767600    3.64781300    1.74326000
 H                  3.53255000    3.00014800    0.20115100
 H                  1.80332200    3.02952900    0.56777300
 H                  4.86966000   -1.59985100    1.62655200
 H                  4.16559800   -3.21667900    1.62089500
 H                  4.39073000   -2.35061700    0.09779600
 H                  1.25593000   -1.23083400    2.90941900
 H                  2.26194300   -2.65272200    3.18148000
 H                  2.94508900   -1.04079800    3.39627200
 C                  0.64527200    0.19908400    0.05557700
 C                 -0.44290400    0.83363400   -0.19053500
 I                 -0.85656500    2.79047700   -0.72789000

-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






