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

Opt freq

1 1
 O                  0.44085100    2.41043800   -1.05295600
 C                  1.57711100    2.28586300   -0.53723300
 O                  1.98584100    1.21125500    0.02251700
 C                 -2.01406200    0.42564300    0.40322800
 C                 -1.17706400    0.37164500   -0.71392500
 C                 -3.37067100    0.13699100    0.34121000
 C                 -3.16726900   -0.27944600   -1.89982700
 H                 -0.24013300    1.22064100   -0.85242800
 H                 -3.66576500   -0.56412100   -2.82225600
 Rh                 0.78916400   -0.47665800    0.11393200
 C                  0.50248200   -2.52696300    0.77789900
 H                 -0.22476100   -2.80244000    1.52951200
 C                  1.85664100   -2.08662300    1.03131100
 H                  2.32540000   -1.99686500    2.00194900
 C                  2.46137000   -1.79243600   -0.22079200
 H                  3.45517700   -1.38955300   -0.36362300
 C                  0.27887300   -2.46927000   -0.61202800
 H                 -0.65542900   -2.68156700   -1.11407100
 C                  1.47720200   -1.96611500   -1.24104200
 H                  1.61568900   -1.78678500   -2.29836500
 C                  2.54718700    3.43246400   -0.55679500
 H                  2.11200300    4.29980700   -1.05161600
 H                  2.81715100    3.68615300    0.47178400
 H                  3.45974500    3.12432900   -1.07341700
 O                 -0.18078100    0.59289000    1.79493400
 O                 -2.09571500    1.18371100    2.58100100
 N                 -1.41825700    0.76057300    1.67730400
 H                 -3.99481300    0.17506200    1.22910000
 N                 -3.93894900   -0.22137300   -0.80854900
 C                 -1.80114200    0.00735100   -1.90469700
 H                 -1.24171300   -0.03041700   -2.83262000

-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






