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

Title Card Required

1 1
 C                 -2.57379000    0.68878900    0.53791900
 C                 -1.71035000    0.85555800   -0.56684900
 C                 -3.96635000    0.62179100    0.45303900
 C                 -2.30992000    0.90676900   -1.83537700
 C                 -4.49920100    0.69779100   -0.83535200
 C                 -3.68883300    0.82304700   -1.96196200
 H                 -1.67463900    1.04505400   -2.70360000
 H                 -5.57610000    0.63625800   -0.95400600
 H                 -4.14221900    0.86548000   -2.94599500
 Rh                -0.97917200   -1.41775000   -0.14150900
 C                 -1.84764800   -3.47147700    0.28465000
 H                 -2.31321200   -3.72622400    1.22741500
 C                 -0.40995300   -3.46893900    0.03264100
 H                  0.34858800   -3.81912100    0.71967200
 C                 -0.20368300   -3.06549400   -1.31606300
 H                  0.73347900   -3.02934400   -1.84652900
 C                 -2.48877800   -2.98214500   -0.84512000
 H                 -3.54669400   -2.78595000   -0.95264300
 C                 -1.46557600   -2.64553500   -1.82252700
 H                 -1.64573200   -2.23006700   -2.80515700
 O                 -1.17486600   -0.47521100    1.93921000
 O                 -2.18747300    1.24413200    2.76247300
 C                 -4.84587000    0.43909900    1.65822300
 H                 -4.50365800   -0.38762600    2.28881200
 H                 -5.86783900    0.22344900    1.34301000
 H                 -4.86075900    1.34406800    2.27175300
 N                 -1.94458700    0.49975700    1.84707000
 Si                 2.35022300   -0.40480200    0.17492900
 C                  3.43390600    1.15755200    0.20712200
 C                  2.14827100   -1.16414700    1.91047400
 C                  2.96523600   -1.68530300   -1.08929300
 H                  2.84613900    1.90145200    0.76117700
 H                  1.23691500   -1.77449300    1.82665700
 H                  2.46677700   -2.62149000   -0.79978000
 C                  3.71230400    1.72186300   -1.19460300
 C                  4.75614200    0.96778000    0.96939900
 C                  2.56929000   -1.34190300   -2.53524900
 C                  4.47790500   -1.95005100   -1.01970200
 C                  1.87585900   -0.08102800    2.96595100
 C                  3.27815500   -2.10266500    2.35289300
 H                  2.79359000   -2.17756200   -3.21028700
 H                  1.50614700   -1.09976000   -2.64261400
 H                  3.13283100   -0.47657000   -2.89752100
 H                  5.04754000   -1.08146400   -1.36567200
 H                  4.82112200   -2.19183900   -0.00967400
 H                  4.74729600   -2.79189400   -1.66967000
 H                  5.31333800    1.91280600    0.99477500
 H                  4.59996400    0.65544600    2.00551500
 H                  5.40230300    0.22475000    0.49170200
 H                  4.15558300    2.72296800   -1.12666700
 H                  4.42222600    1.08855000   -1.73795000
 H                  2.80792900    1.80398400   -1.80568000
 H                  4.24011800   -1.58372400    2.42472900
 H                  3.06306300   -2.52361800    3.34324300
 H                  3.40325700   -2.94228300    1.66092100
 H                  1.08893700    0.61345500    2.65350600
 H                  1.55556900   -0.53282400    3.91258200
 H                  2.77436000    0.50943700    3.17502400
 C                  0.54086600   -0.00786200   -0.26083900
 C                 -0.22966500    1.06059600   -0.41125500
 I                  0.30536500    3.13585900   -0.42112800

-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









