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

Title Card Required

1 1
 C                  2.54357200   -1.08066400    0.32209500
 C                  1.69465500   -1.19225200   -0.80066300
 C                  3.93687600   -0.94293800    0.25228200
 C                  2.30894800   -1.13794100   -2.06333900
 C                  4.47928600   -0.89107200   -1.02818500
 C                  3.68056600   -0.98470400   -2.16956000
 H                  1.68852000   -1.23565100   -2.94753900
 H                  5.55221100   -0.76750300   -1.13354800
 H                  4.14220200   -0.94168700   -3.14976100
 Rh                 0.93703900    1.02753000    0.01217900
 C                  1.57705100    3.07234000    0.73049900
 H                  1.92420000    3.25410200    1.73910300
 C                  0.17455700    2.99302100    0.33220900
 H                 -0.67323600    3.21229200    0.96710700
 C                  0.13532000    2.72290500   -1.06509900
 H                 -0.74002700    2.66299200   -1.69195100
 C                  2.36773200    2.76960900   -0.37242600
 H                  3.44426200    2.67268900   -0.39005100
 C                  1.47345900    2.46425800   -1.47435100
 H                  1.78011600    2.16412600   -2.46807500
 O                  1.13946000   -0.17921000    1.90599900
 O                  2.20665400   -1.97640500    2.44071600
 C                  4.79851400   -0.83571000    1.47921900
 H                  4.39277200   -0.11878200    2.19993200
 H                  5.80002400   -0.50495700    1.20008700
 H                  4.88613600   -1.80343900    1.98085600
 N                  1.92953000   -1.10888800    1.65420800
 Si                -2.37667600   -0.12212100    0.10223200
 C                 -3.36925300   -1.74043800   -0.03660700
 C                 -2.28127000    0.49469100    1.90334500
 C                 -3.01840200    1.22547200   -1.07879400
 H                 -2.74191700   -2.50713900    0.43769000
 H                 -1.40847600    1.16348800    1.91231900
 H                 -2.56962700    2.15837900   -0.70775600
 C                 -3.62825400   -2.16930600   -1.48928400
 C                 -4.70217500   -1.70153500    0.73229700
 C                 -2.56531100    1.01354000   -2.53349200
 C                 -4.54321500    1.41537300   -1.03368300
 C                 -1.97653700   -0.65084500    2.88090400
 C                 -3.48355100    1.32491000    2.37192600
 H                 -2.79245700    1.89595100   -3.14503800
 H                 -1.49212000    0.81078600   -2.62175300
 H                 -3.08805300    0.16563700   -2.98698900
 H                 -5.06320500    0.54453200   -1.44588300
 H                 -4.92077900    1.57824500   -0.02018800
 H                 -4.83778100    2.28275700   -1.63770300
 H                 -5.21740300   -2.66557800    0.63607300
 H                 -4.56751300   -1.51012400    1.80005000
 H                 -5.37836600   -0.93467800    0.33998900
 H                 -4.03441800   -3.18783800   -1.52291200
 H                 -4.36423200   -1.51187600   -1.96426400
 H                 -2.72469600   -2.15543900   -2.10528700
 H                 -4.41791700    0.75392500    2.34390400
 H                 -3.33859000    1.65818300    3.40742400
 H                 -3.62268900    2.22119200    1.75824300
 H                 -1.11226700   -1.24408900    2.56445600
 H                 -1.75363800   -0.25596700    3.87970400
 H                 -2.82667900   -1.33292500    2.98448900
 C                 -0.54435500   -0.38749100   -0.32263200
 C                  0.22027300   -1.41268000   -0.67338700
 Cl                -0.28024700   -3.07381700   -1.04263800

-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









