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

Title Card Required

1 1
 C                  0.61693500    2.35444800   -0.07217000
 C                  3.20004700    3.43105100   -0.19148200
 C                 -0.68841100    1.77658300   -0.02311400
 C                 -1.77849400    1.23805700    0.01379000
 C                  1.57393800    1.91047500   -0.99734600
 C                  2.86515300    2.42378500   -1.10141800
 C                  0.99558100    3.37547200    0.80413000
 C                  2.28175700    3.90018700    0.74255300
 H                  4.20038500    3.85025200   -0.22537600
 H                  2.57185300    4.68595600    1.43157400
 H                  0.27544700    3.74544400    1.52489000
 C                  0.79905600   -1.34177800    2.69796900
 C                  1.01669000    0.01651800    2.35170100
 C                  1.99139800   -2.07566400    2.39479200
 H                  0.28861000    0.81226300    2.42424500
 H                  2.13478600   -3.14042800    2.51982000
 C                  2.36874700    0.14070100    1.88088200
 H                  2.82972500    1.04858500    1.51587800
 C                  2.97287100   -1.13521000    1.91716900
 H                  3.97199600   -1.37718200    1.58083600
 H                 -0.13536800   -1.76915600    3.03716200
 Si                -3.43368200    0.39470700    0.04865700
 C                 -3.26830800   -1.23935000   -0.86741700
 H                 -2.65201300   -1.91059300   -0.25925100
 C                 -3.86423000    0.11394600    1.86069700
 H                 -3.12466500   -0.57956300    2.28254800
 C                 -4.65754200    1.55616400   -0.78819300
 H                 -4.62250400    2.52909300   -0.28275400
 O                 -0.28511200   -2.45898900   -0.19294500
 C                  0.52813300   -3.04941100   -0.97614100
 O                  1.75890400   -2.76260000   -0.84395900
 C                  0.04592100   -3.99154700   -2.02326000
 H                 -0.08032100   -3.43209300   -2.95589300
 H                  0.78247300   -4.77903700   -2.19141200
 H                 -0.91560100   -4.41899800   -1.73672800
 Rh                 1.26323300   -1.25400800    0.60492100
 O                  0.88614900   -0.27071400   -1.44057200
 O                  1.15679000    1.06257100   -3.09564100
 N                  1.18376800    0.83878200   -1.90844400
 C                 -2.65978300   -1.12826400   -2.27020000
 C                 -6.09378300    1.01567800   -0.79399100
 C                 -3.92671400    1.39644700    2.69899300
 H                 -4.69819800    2.08061600    2.32933000
 H                 -4.15540800    1.18047600    3.74803400
 H                 -2.97274600    1.93558200    2.67362300
 H                 -3.25496600   -0.47764500   -2.92084100
 H                 -1.64426600   -0.72089500   -2.22620500
 H                 -2.59985100   -2.10860600   -2.75536000
 H                 -6.16190400    0.05872900   -1.32292400
 H                 -6.46891200    0.85736200    0.22322200
 H                 -6.77888200    1.71161400   -1.28951400
 C                  3.85922400    1.92207100   -2.11226300
 H                  3.83363200    0.83263800   -2.20862900
 H                  3.65691600    2.34974100   -3.09858500
 H                  4.86924400    2.21318100   -1.81794700
 H                 -4.82642200   -0.41305500    1.90423500
 H                 -4.26706400   -1.69337800   -0.92063300
 H                 -4.31925900    1.73780500   -1.81600900

-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









