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

Title Card Required

1 1
 O                  0.62730300    2.84206100   -0.46753400
 C                  0.93643200    2.49418500    0.75444300
 O                  0.83549200    1.34403700    1.20755800
 C                 -2.15050000   -0.44764500    0.16792700
 C                 -1.05994700    0.11463100   -0.49524800
 C                 -3.46366400   -0.12291500   -0.14515400
 C                 -3.64002700    0.81790700   -1.14870600
 C                 -2.51399800    1.40246300   -1.72661800
 H                  0.13132900    2.14068000   -0.96935700
 H                 -4.63159500    1.12752300   -1.45460000
 H                 -2.62291800    2.18811400   -2.46800500
 Rh                 0.73240400   -0.50330900    0.08539700
 C                  1.29544400   -2.24943400   -1.01004900
 H                  0.64715900   -3.10735500   -1.12676200
 C                  2.36474600   -2.12320400   -0.02538400
 H                  2.56388000   -2.82881700    0.76973400
 C                  2.99092600   -0.90258800   -0.21804700
 H                  3.77223200   -0.47483800    0.39501200
 C                  1.36698300   -1.12616900   -1.88157000
 H                  0.73327200   -0.93228600   -2.73597200
 C                  2.32204300   -0.22797900   -1.32468500
 H                  2.59134400    0.73935200   -1.72775700
 C                  1.47020100    3.60458800    1.59495000
 H                  0.88996400    4.51521200    1.43876500
 H                  1.46711700    3.31650800    2.64512700
 H                  2.50063900    3.80368100    1.28217500
 O                 -0.60796600   -1.41718400    1.55436000
 O                 -2.68534500   -1.88316600    1.89339400
 N                 -1.82750200   -1.31168500    1.26439600
 N                 -1.25406600    1.06089500   -1.41124600
 H                 -4.29733200   -0.57235700    0.38332900

-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










