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

Title Card Required

1 1
 C                  1.89878700    1.51292200    0.11892800
 C                  4.47476000    2.28983000    0.88817100
 C                  0.51591400    1.13164100   -0.21036700
 C                 -0.45659300    0.41784500    0.26075200
 C                  3.04039700    0.81309900   -0.29570300
 C                  4.34603100    1.17218600    0.06082100
 C                  2.08492800    2.63017400    0.93286700
 C                  3.36534700    3.00970200    1.31489800
 H                  5.46877800    2.58896200    1.20404600
 H                  3.49750200    3.87284400    1.95825700
 H                  1.22105500    3.19598400    1.26190400
 C                 -0.09404900   -1.54867100    3.08819600
 C                  0.65201300   -0.32150300    3.10667200
 C                  0.83818600   -2.62675700    2.83624900
 H                  0.25444800    0.66635900    3.29204900
 H                  0.57410900   -3.67042100    2.73322400
 C                  1.98242800   -0.62907600    2.73471600
 H                  2.78313900    0.08593000    2.59498900
 C                  2.09972900   -2.06912800    2.60549500
 H                  2.99313600   -2.60510300    2.31466400
 H                 -1.14401000   -1.66302300    3.31782300
 Si                -2.32834100    0.78917800    0.54363700
 C                 -3.26991000   -0.60436100    1.44345900
 H                 -2.90124900   -0.55355900    2.47865100
 C                 -2.12458800    2.23878800    1.78437300
 H                 -1.29913500    1.89547500    2.42512200
 C                 -3.16084900    1.27823300   -1.09363700
 H                 -2.40584700    1.86479700   -1.62888500
 O                 -0.22439100   -2.69013200   -0.07571700
 C                 -0.65313200   -2.91650700   -1.25250600
 O                 -0.67093100   -2.13777300   -2.23038000
 Ag                -0.15288700   -0.02659700   -2.64031100
 C                 -1.22252400   -4.30707400   -1.44539200
 H                 -1.42037400   -4.50546300   -2.49907700
 H                 -0.53434400   -5.05548500   -1.04527100
 H                 -2.15876300   -4.38174200   -0.88222400
 Rh                 0.63440100   -1.19564000    1.14238900
 O                  2.00518200   -1.21950200   -0.71962600
 O                  3.52726100   -0.55758100   -2.07956200
 N                  2.85312800   -0.38757100   -1.08797700
 C                 -4.78119800   -0.29754400    1.48465300
 C                 -3.08747400   -2.04398300    0.95137000
 C                 -3.52460700    0.06272100   -1.96232200
 C                 -4.39198000    2.18342700   -0.91623600
 C                 -3.32087300    2.49495400    2.71223700
 C                 -1.68001700    3.55836500    1.13915900
 H                 -5.27419600   -0.96358600    2.20289100
 H                 -5.01891900    0.72840500    1.77332200
 H                 -5.24141500   -0.48088700    0.50835100
 H                 -3.59520000    1.61102900    3.29582900
 H                 -3.07497400    3.29268100    3.42413100
 H                 -4.20546100    2.82163700    2.15442600
 H                 -2.49961800    4.02613000    0.58382500
 H                 -1.36521100    4.27380100    1.90880100
 H                 -0.85125100    3.43388400    0.43933400
 H                 -3.36202600   -2.14639600   -0.10439400
 H                 -2.06425500   -2.39994600    1.05847400
 H                 -3.74169100   -2.71569100    1.52216800
 H                 -5.21100700    1.66671700   -0.40726700
 H                 -4.16798600    3.09143700   -0.34964900
 H                 -4.76864100    2.49772100   -1.89761800
 H                 -3.80859800    0.38315400   -2.97241600
 H                 -2.70675000   -0.66065400   -2.06061500
 H                 -4.37893800   -0.47848400   -1.54192900
 C                  5.56727500    0.40153500   -0.36244200
 H                  5.43148400   -0.67831600   -0.25378600
 H                  5.81014000    0.60034300   -1.40926500
 H                  6.41907400    0.70197100    0.25022900
 Cl                 0.13673700    2.48428700   -1.86248700

-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






