%nprocshared=8
%mem=8000MB
%chk=CGET_0017_TS_CH_H_Cpstar_spbs.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                  0.02107900    2.95408800    0.77691500
 C                 -1.15631000    2.92143900    0.31614000
 O                 -1.71597400    1.86328900   -0.09871800
 C                  2.21396100    0.47628100   -0.16982700
 C                  1.25176200    0.66422900    0.83592800
 C                  3.49266000   -0.05823900    0.03166700
 C                  1.62575500    0.33490100    2.13834300
 C                  3.78978900   -0.39865200    1.35863100
 C                  2.88869900   -0.19201300    2.39715600
 H                  0.49792600    1.75620000    0.76883100
 H                  0.92525900    0.50149500    2.95093300
 H                  4.76198200   -0.83258400    1.57125500
 H                  3.17369400   -0.45222000    3.41168600
 Rh                -0.71096300    0.00105000   -0.10006600
 C                 -0.72888800   -2.00908800   -0.88167700
 C                 -2.03026600   -1.38498900   -1.05797200
 C                 -2.54402700   -1.08280500    0.24201500
 C                 -0.43978400   -2.06574200    0.50845700
 C                 -1.54360200   -1.44263300    1.21439600
 C                 -1.92985300    4.20519800    0.22395100
 H                 -1.55930400    4.93149800    0.94780700
 H                 -1.79217900    4.61521100   -0.78206500
 H                 -2.99419900    4.02020200    0.37439500
 O                  0.55780500    0.92586400   -1.73203800
 O                  2.59569500    1.22740000   -2.33385700
 C                  4.51326400   -0.30729500   -1.04393400
 H                  4.07299300   -0.77928600   -1.92607800
 H                  5.29894800   -0.96007700   -0.65809400
 H                  4.97172800    0.62892100   -1.37305700
 N                  1.78752800    0.89336900   -1.49724000
 C                  0.15708800   -2.50312300   -1.97147700
 C                 -2.70998300   -1.16984400   -2.36656200
 C                  0.76469200   -2.70775700    1.10763100
 C                 -1.68305100   -1.31020000    2.69157800
 C                 -3.84863900   -0.43882900    0.55353100
 H                  1.68052400   -2.37651100    0.61142700
 H                  0.85029500   -2.49204600    2.17215300
 H                  0.68439500   -3.79236100    0.98061400
 H                  1.20987000   -2.42244200   -1.69146400
 H                 -0.06185300   -3.56026900   -2.15874700
 H                 -0.00466800   -1.95490600   -2.90117100
 H                 -1.99393000   -0.87180800   -3.13536600
 H                 -3.18609400   -2.10180800   -2.68958700
 H                 -3.47830300   -0.39849700   -2.29553900
 H                 -4.26484300    0.06632800   -0.31822200
 H                 -4.55568900   -1.20984200    0.87797600
 H                 -3.74690000    0.28861100    1.36134500
 H                 -0.70888500   -1.24326600    3.17813600
 H                 -2.26332200   -0.42307900    2.95373000
 H                 -2.20524400   -2.18844600    3.08651700

-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






