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

Title Card Required

1 1
 C                 -1.92724800   -1.06745100    0.70793900
 C                 -4.70569300   -1.06467000    1.08363900
 C                 -0.44466900   -1.03578500    0.60294800
 C                  0.41687500   -0.03432600    0.70987100
 C                 -2.81501500   -0.66067500   -0.29442100
 C                 -4.20771600   -0.63969900   -0.14829200
 C                 -2.48123600   -1.50827400    1.91044200
 C                 -3.85740000   -1.50308000    2.09496700
 H                 -5.77841300   -1.04699900    1.24660000
 H                 -4.27290000   -1.83496900    3.04035000
 H                 -1.82193700   -1.84114900    2.70512100
 C                 -0.13518200    3.40075800    1.51486100
 C                 -0.78374300    2.36717600    2.26262200
 C                 -1.08535100    3.94120900    0.56443200
 H                 -0.35316400    1.80023600    3.07627500
 H                 -0.88280700    4.72976400   -0.14646100
 C                 -2.05817300    2.16166600    1.66966100
 H                 -2.79747000    1.43608800    1.98025000
 C                 -2.24612700    3.17666300    0.64837300
 H                 -3.11497200    3.26069200    0.00862700
 H                  0.86062200    3.78585500    1.68558200
 Si                 2.21648200   -0.07009400    1.36450600
 Br                 0.18791200   -2.97588200    0.37206500
 C                  2.97819700    1.63341900    1.66693800
 H                  2.29053100    2.22646600    2.28100600
 C                  2.13981800   -0.74530500    3.13594600
 H                  1.53910800   -0.03017700    3.71549100
 C                  3.38482000   -1.04647700    0.24554000
 H                  3.01654100   -2.07015900    0.11183700
 O                  0.91764600    2.19654200   -1.29105300
 C                  1.56567400    1.66057100   -2.24050200
 O                  1.62001600    0.44829600   -2.55202500
 Ag                 0.96236000   -1.56227000   -1.93743200
 C                  2.39737400    2.61090400   -3.07962000
 H                  3.45564800    2.41981100   -2.87507900
 H                  2.22536600    2.41381400   -4.14056000
 H                  2.17250600    3.65317600   -2.85199800
 Rh                -0.50598400    1.75144900    0.22307700
 O                 -1.37515900    0.66223600   -1.55551400
 O                 -2.68021700   -0.68806500   -2.59066900
 N                 -2.26200600   -0.20900500   -1.55987100
 C                  3.51559800    2.46475900    0.50032500
 C                  4.82178000   -1.09273600    0.78599500
 C                  1.66757000   -2.16773900    3.43684600
 H                  2.22835700   -2.91367900    2.86494300
 H                  1.79774700   -2.40111200    4.49946800
 H                  0.60697200   -2.30108300    3.20442600
 H                  4.15139000    1.86160500   -0.15837100
 H                  2.70584400    2.87221100   -0.10621800
 H                  4.12483200    3.29992900    0.86371200
 H                  5.25099900   -0.09018000    0.88435800
 H                  4.86484700   -1.56978000    1.77090000
 H                  5.47440600   -1.66490900    0.11838600
 C                 -5.14349500   -0.15648500   -1.22311500
 H                 -4.77990200    0.75589900   -1.70488800
 H                 -5.27223800   -0.91454900   -2.00027100
 H                 -6.12122700    0.05521000   -0.78724100
 H                  3.16432600   -0.62160800    3.51358300
 H                  3.81293100    1.39634900    2.34259000
 H                  3.37852200   -0.57368700   -0.74608600

-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









