%nprocshared=20
%mem=2GB
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                 -1.90922000   -0.73885500    1.06141500
 C                 -4.49648000   -0.62794600    2.13883900
 C                 -0.50695900   -0.80619800    0.56921000
 C                  0.44823900    0.10141600    0.49377800
 C                 -3.03008000   -0.42722300    0.28239100
 C                 -4.33846200   -0.36418800    0.77719000
 C                 -2.12744600   -1.01543600    2.41127600
 C                 -3.40942200   -0.95276500    2.94289900
 H                 -5.49031900   -0.56740800    2.56976200
 H                 -3.56167100   -1.15292600    3.99811900
 H                 -1.28336600   -1.27736100    3.03941200
 C                  0.13587100    3.35939500    1.53491900
 C                 -0.67964000    2.42981700    2.26064800
 C                 -0.73285200    4.11085800    0.64632100
 H                 -0.35191400    1.74603800    3.03024200
 H                 -0.40081000    4.86779700   -0.05117700
 C                 -1.98175600    2.50165200    1.70756400
 H                 -2.82528700    1.88778100    1.99581200
 C                 -2.01966600    3.58757000    0.74370400
 H                 -2.88002600    3.87751900    0.15620000
 H                  1.18550600    3.55715600    1.69876600
 Si                 2.32838000    0.00502500    0.94485400
 C                  3.27187700    1.65952500    0.78244900
 H                  2.90911700    2.25854200    1.63074000
 C                  2.13594100   -0.33988900    2.82576700
 H                  1.32366400    0.34043700    3.12196100
 C                  3.20930500   -1.39543900    0.00389400
 H                  2.48534300   -2.21616000   -0.02130600
 O                  0.28140900    2.30882700   -1.72952900
 C                  0.71449500    1.81538500   -2.81451800
 O                  0.76272500    0.60843100   -3.15067700
 Ag                 0.18078300   -1.26412800   -2.16501200
 C                  1.24758300    2.83763500   -3.79836600
 H                  2.14911800    3.29404500   -3.37678100
 H                  1.48984100    2.37469800   -4.75517500
 H                  0.51298300    3.63373100   -3.94392300
 Rh                -0.58063200    1.90744000    0.17848200
 O                 -1.92334700    0.77216700   -1.35427400
 O                 -3.47084500   -0.58383900   -1.97485100
 N                 -2.80408100   -0.06897500   -1.10415700
 C                  4.78610700    1.45387500    0.99549800
 C                  3.08600700    2.48705400   -0.49382100
 C                  3.53756600   -1.01928100   -1.44944800
 C                  4.46271100   -1.94440600    0.70623600
 C                  3.34992500    0.02544000    3.69294700
 C                  1.67597400   -1.76567400    3.15428600
 H                  5.27161300    2.42618300    1.14412700
 H                  5.03762300    0.82989500    1.85536500
 H                  5.24464000    0.99990200    0.11115100
 H                  3.63562100    1.07620400    3.59012300
 H                  3.11839800   -0.14689800    4.75158600
 H                  4.22366100   -0.58965500    3.45122000
 H                  2.43335300   -2.50890700    2.88379400
 H                  1.48901900   -1.87044900    4.23035000
 H                  0.75473200   -2.03776500    2.63499100
 H                  3.33521700    1.90545700   -1.38871500
 H                  2.06832500    2.85222400   -0.61703300
 H                  3.75879600    3.35446200   -0.47585800
 H                  5.27468600   -1.21284000    0.72804600
 H                  4.26470600   -2.25096500    1.73738700
 H                  4.83467100   -2.82570100    0.16905200
 H                  3.84600400   -1.90517800   -2.01837600
 H                  2.69150600   -0.56196200   -1.97621900
 H                  4.36156600   -0.29942400   -1.49532400
 C                 -5.52368500    0.01905200   -0.06677500
 H                 -5.31396800    0.89120200   -0.69340100
 H                 -5.81854100   -0.80033900   -0.72727100
 H                 -6.37030800    0.25984400    0.57848100
 I                 -0.22218400   -3.03793200   -0.00596700

-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









