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

Title Card Required

1 1
 O                  0.24271500    2.80764400   -1.06012100
 C                  0.08763500    2.71275400    0.24074300
 O                  0.33153000    1.68130100    0.87455200
 C                 -1.95528000   -0.70604000    0.28155400
 C                 -0.95938800   -0.40047200   -0.64531300
 C                 -3.30322800   -0.81186500   -0.05633400
 C                 -2.76865300   -0.33910500   -2.22263200
 H                  0.57067100    1.96311800   -1.41970500
 H                 -3.12782600   -0.19945000   -3.23913700
 Rh                 0.88841300   -0.28249200    0.12813400
 C                  2.02255600   -2.07066900   -0.14268800
 H                  1.65119100   -3.03530400    0.17696400
 C                  2.92580800   -1.21800500    0.61419200
 H                  3.27767200   -1.41035500    1.61831000
 C                  3.15647900   -0.07296100   -0.13871900
 H                  3.71877300    0.79709700    0.17352800
 C                  1.80120200   -1.47274600   -1.41471500
 H                  1.20274500   -1.88183500   -2.21680300
 C                  2.40998500   -0.18413400   -1.38337800
 H                  2.43440900    0.52862600   -2.19712000
 C                 -0.40177400    3.95685400    0.89394300
 H                 -1.33337000    4.27181700    0.41652900
 H                 -0.55926700    3.78502900    1.95688800
 H                  0.33470000    4.75163400    0.74534200
 O                 -0.29673700   -0.83654800    1.86054400
 O                 -2.32004100   -1.16357100    2.51634200
 N                 -1.53229200   -0.91724000    1.63475100
 H                 -4.05008000   -1.04671100    0.69657000
 N                 -3.70732500   -0.62925900   -1.30680000
 C                 -1.40817500   -0.21382500   -1.95097300
 H                 -0.72360200    0.02462800   -2.75768200

-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










