%nprocshared=8
%mem=2GB
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                  1.35243800    1.15604300   -1.31610600
 C                  2.25053100    1.67818300   -0.57672600
 O                  2.58339900    1.02736500    0.46335500
 C                 -2.24675600    0.69529600    0.36079200
 C                 -1.81756500    0.84978900   -0.95402800
 C                 -3.47099900    0.11164200    0.66187400
 C                 -4.21674200   -0.35474100   -0.40949000
 C                 -3.70802500   -0.19781000   -1.69826500
 H                 -0.88412500    1.35549100   -1.18382500
 H                 -5.17293100   -0.83924600   -0.25333800
 H                 -4.26655700   -0.57218200   -2.55154200
 Rh                 1.05327000   -0.41168300    0.10526100
 C                 -0.27379800   -2.12963200    0.18877900
 H                 -1.34467000   -2.04121400    0.31550200
 C                  0.69262500   -2.20431400    1.25435900
 H                  0.47422500   -2.19652000    2.31349600
 C                  1.98139500   -2.26559100    0.66904300
 H                  2.92162900   -2.27472400    1.20442800
 C                  0.41990900   -2.11854500   -1.04192600
 H                 -0.02625500   -2.00536100   -2.02097100
 C                  1.83101300   -2.16291700   -0.75554000
 H                  2.63089900   -2.15440100   -1.48360000
 C                  2.83977500    3.00812500   -0.89258100
 H                  2.95744000    3.12168600   -1.97155800
 H                  2.14764500    3.78015800   -0.54051300
 H                  3.79702100    3.13396500   -0.38622500
 O                 -0.15722000    1.14378400    1.26838200
 O                 -1.89689400    1.53412500    2.46630200
 N                 -1.39314600    1.14830200    1.43781100
 N                 -2.54487700    0.40367000   -1.97481500
 H                 -3.80725300    0.00684000    1.68720400

-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










