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

Title Card Required

1 1
 C                 -1.96702400   -1.52354700   -0.62076800
 C                 -4.61956100   -2.19370700    0.03074800
 C                 -0.51803400   -1.25560400   -0.90204000
 C                  0.33684000   -0.54351500   -0.13368100
 C                 -3.02014800   -0.60838300   -0.72602800
 C                 -4.35768000   -0.90361500   -0.42645700
 C                 -2.29552600   -2.80980200   -0.18309300
 C                 -3.60235100   -3.13406000    0.15306500
 H                 -5.63885200   -2.45738900    0.29343500
 H                 -3.82954600   -4.13202100    0.51235000
 H                 -1.51271800   -3.55577200   -0.09759200
 C                  0.06180900   -0.08166000    3.13189800
 C                 -0.93727800   -0.99967600    2.66337000
 C                 -0.61511400    1.15762000    3.47006400
 H                 -0.79573900   -2.03093300    2.37429700
 H                 -0.12175400    2.05414100    3.82082900
 C                 -2.15439600   -0.28289900    2.57448800
 H                 -3.08596400   -0.67825700    2.18957700
 C                 -1.96059000    1.04305400    3.12316000
 H                 -2.71159500    1.81803300    3.18580000
 H                  1.10289100   -0.30407400    3.32478200
 Si                 2.23371000   -0.88820200    0.15523000
 C                  3.01565900    0.67361500    0.94091900
 H                  2.21691200    1.13498300    1.53040600
 C                  2.10409300   -2.43041600    1.30806200
 H                  1.12960300   -2.32882500    1.79503300
 C                  3.17983000   -1.41470500   -1.41821700
 H                  2.75208800   -2.38615200   -1.68723500
 O                  0.40939400    2.45861100    0.87137300
 C                  0.54131700    3.33099600   -0.04485400
 O                  0.45281800    3.14508500   -1.28230700
 Ag                 0.35415400    1.03842900   -1.98511700
 C                  0.87432300    4.72295800    0.44762100
 H                  0.92088500    5.43264800   -0.37850100
 H                  0.12496900    5.04763700    1.17419500
 H                  1.84028100    4.69754400    0.96046100
 Rh                -0.65031500    0.63862900    1.28074800
 O                 -1.92093000    1.41772000   -0.42680500
 O                 -3.29189800    1.24760800   -2.06689900
 N                 -2.72999300    0.76324300   -1.11268000
 C                  4.21032000    0.44159300    1.88187900
 C                  3.43639500    1.71174800   -0.11399100
 C                  3.07048100   -0.52472000   -2.66231200
 C                  4.65926800   -1.65590500   -1.06824400
 C                  3.13886200   -2.57228100    2.43357900
 C                  2.04998100   -3.73821500    0.49915400
 H                  4.65453000    1.40779900    2.15239000
 H                  3.92560700   -0.05150500    2.81205700
 H                  5.00178700   -0.15515600    1.41676100
 H                  3.01206300   -1.81174600    3.20873400
 H                  3.02166800   -3.54827900    2.92111900
 H                  4.16863700   -2.51159000    2.06692200
 H                  3.01331300   -3.95738800    0.02558300
 H                  1.81600900   -4.57884600    1.16365100
 H                  1.29080200   -3.71906600   -0.28694600
 H                  4.34955500    1.40057700   -0.63210000
 H                  2.67668100    1.90903000   -0.87517400
 H                  3.65250900    2.67052500    0.37290400
 H                  5.17891000   -0.71823600   -0.84549400
 H                  4.77978300   -2.31846400   -0.20405100
 H                  5.17912100   -2.12401700   -1.91305700
 H                  3.60515300   -0.98108500   -3.50471400
 H                  2.03053200   -0.41063200   -3.00265700
 H                  3.49649000    0.46967800   -2.50917500
 C                 -5.46642400    0.10752000   -0.54478500
 H                 -5.20561200    1.06140300   -0.07552100
 H                 -5.70703100    0.30490500   -1.59258000
 H                 -6.36322100   -0.27442700   -0.05470800
 Cl                 0.01781100   -2.35752600   -2.23550000

-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






