%nprocshared=8
%mem=2GB
%chk=CGET_0016_I1_CH_H_Cpstar_31.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                  0.41877200    3.01921200    0.84330200
 C                  0.27985100    2.93731500   -0.46454200
 O                  0.03228500    1.88036300   -1.04523600
 C                  2.43900600   -0.59605000   -0.44396500
 C                  1.49203700   -0.21273100    0.51021300
 C                  3.80420200   -0.74602300   -0.19866200
 C                  1.99232700    0.04175400    1.79051100
 C                  4.25782000   -0.49139100    1.08441700
 C                  3.35058900   -0.09412400    2.07179800
 H                  0.33463300    2.12985300    1.23162000
 H                  1.31720500    0.34501500    2.58699100
 H                  5.31094000   -0.60022300    1.31788900
 H                  3.71000100    0.10671200    3.07660300
 Rh                -0.41590900   -0.10291300   -0.17603600
 C                 -1.57726700   -1.85600800    0.13205100
 C                 -2.45652400   -0.97243400   -0.63804600
 C                 -2.63804600    0.19822000    0.10706800
 C                 -1.32932600   -1.25383800    1.40677800
 C                 -1.88161800    0.06908100    1.35787800
 C                  0.44770100    4.23421300   -1.17809400
 H                  0.28409700    4.09615100   -2.24525000
 H                 -0.26198300    4.96304900   -0.77740800
 H                  1.45606000    4.61725200   -0.99884000
 O                  0.70820900   -0.72580300   -1.96015100
 O                  2.68829500   -1.15569000   -2.67663500
 N                  1.94376500   -0.84578700   -1.77288500
 C                 -1.16637800   -3.22629800   -0.28873400
 C                 -2.99504700   -1.29864300   -1.99122600
 C                 -0.65486700   -1.89864600    2.56955300
 C                 -1.91452100    1.04478500    2.48841800
 C                 -3.38765900    1.42661200   -0.28497300
 H                  0.16607200   -2.54482400    2.25393900
 H                 -0.26720200   -1.16010400    3.27294000
 H                 -1.38716100   -2.51567100    3.10159300
 H                 -0.25006500   -3.53793200    0.21654400
 H                 -1.95847500   -3.93868000   -0.03297900
 H                 -1.00431000   -3.27573100   -1.36750800
 H                 -2.20946400   -1.68531300   -2.64611500
 H                 -3.76536600   -2.07280600   -1.90732500
 H                 -3.43976800   -0.42419100   -2.46852900
 H                 -4.33691100    1.47035300    0.25990100
 H                 -2.82160600    2.32760700   -0.03250200
 H                 -3.60100000    1.44563700   -1.35461500
 H                 -0.98641900    1.01766700    3.06649000
 H                 -2.07213200    2.06453100    2.13035900
 H                 -2.73799100    0.79694400    3.16675800
 H                  4.47625600   -1.05314400   -0.99164800

-C -H -O -Si -N -F
6-311++G(d,p)
****
-Br
LANL2DZ
D 1 1.0
0.428 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
-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






