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

Title Card Required

1 1
 C                  1.80091300   -0.91813400   -0.90235500
 C                  4.56514000   -1.19301400   -1.15283200
 C                  0.36056100   -0.77042000   -0.80908700
 C                 -0.62616100    0.04434200   -0.93815100
 C                  2.66658700   -0.68851500    0.17786300
 C                  4.05515000   -0.81504600    0.09396700
 C                  2.35742700   -1.30642800   -2.12086800
 C                  3.73526400   -1.44084700   -2.23949100
 H                  5.64007700   -1.28967200   -1.26448300
 H                  4.16633500   -1.73525000   -3.18997300
 H                  1.70200500   -1.50619300   -2.96108700
 C                 -0.23441800    3.28341600   -1.69636300
 C                  0.75363200    2.41822300   -2.27836900
 C                  0.40910200    4.03047800   -0.63738100
 H                  0.59624500    1.73371500   -3.10053800
 H                 -0.08102000    4.74485500    0.01012500
 C                  1.93154400    2.53313800   -1.49998900
 H                  2.84340500    1.96886400   -1.64361800
 C                  1.72479800    3.56933600   -0.50863600
 H                  2.44011000    3.87739300    0.24153200
 H                 -1.24931200    3.41849000   -2.04463100
 Br                -0.32805200   -3.12193800   -0.41721900
 O                 -1.11884800    2.13999800    1.27996800
 C                 -1.56191300    1.54762500    2.32177100
 O                 -1.55691000    0.32451600    2.56826900
 Ag                -1.22082500   -1.55916700    1.49974300
 C                 -2.18691000    2.48043200    3.33752200
 H                 -3.05396900    2.97234500    2.88662400
 H                 -2.50109500    1.93499800    4.22749000
 H                 -1.47116400    3.25958300    3.61173500
 Rh                 0.29247300    1.83961600   -0.26170500
 O                  1.29462800    0.70741800    1.44499300
 O                  2.41331300   -0.81295800    2.45979000
 N                  2.08999100   -0.24814100    1.43945700
 C                  4.98534500   -0.53698100    1.24244700
 H                  4.71932300    0.38186400    1.77296000
 H                  4.96733600   -1.35550600    1.96650300
 H                  6.00541600   -0.43089700    0.86980600
 C                 -2.03257900   -0.07330600   -1.32103300
 C                 -3.03109200    0.73921900   -0.76759300
 C                 -2.37861100   -1.00785000   -2.31081900
 C                 -4.35453800    0.58779900   -1.16687600
 H                 -2.76290900    1.48441300   -0.02919200
 C                 -3.70128300   -1.14432400   -2.71256700
 H                 -1.60715500   -1.62121100   -2.76253600
 C                 -4.69389500   -0.35355800   -2.13606200
 H                 -5.12160700    1.21489700   -0.72382900
 H                 -3.95701300   -1.86984800   -3.47796700
 H                 -5.72745600   -0.46519200   -2.44840300

-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









