%nprocshared=12
%mem=8000MB
%chk=CGET_0021_TS_CH_H_Cpstar_CH3_spbs.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                  0.26332300    2.85554500   -1.09089400
 C                  1.45468100    2.82084200   -0.66642100
 O                  1.99030600    1.78732000   -0.16788100
 C                 -1.95713600    0.67371300    0.32903900
 C                 -1.08146800    0.64864400   -0.76908000
 C                 -3.27906800    0.21795500    0.33085600
 C                 -1.61581400    0.18240000   -1.96795700
 C                 -3.76631700   -0.25590800   -0.90902900
 C                 -2.93653800   -0.24855500   -2.03258100
 H                 -0.27181600    1.69169700   -0.91799400
 H                 -0.99965200    0.17422900   -2.86201700
 H                 -3.33922300   -0.59886700   -2.97857900
 Rh                 0.90301400   -0.02370500    0.06618400
 C                  0.89981300   -1.93109100    1.06751200
 C                  2.24242000   -1.37637700    1.05088000
 C                  2.63760800   -1.24461700   -0.31679400
 C                  0.47257000   -2.12210600   -0.27529600
 C                  1.53229300   -1.65458600   -1.14675000
 C                  2.27330300    4.07889900   -0.71693200
 H                  1.91049900    4.74558700   -1.49959500
 H                  2.16877800    4.58673800    0.24767900
 H                  3.32790200    3.84525100   -0.86796000
 O                 -0.13860900    1.15832300    1.68656700
 O                 -2.06532400    1.84795200    2.33220000
 C                 -4.15763300    0.18807400    1.55256600
 H                 -3.58740600    0.02867300    2.46866300
 H                 -4.89838600   -0.60839900    1.47189000
 H                 -4.69499400    1.13516600    1.66492500
 N                 -1.37717900    1.25494600    1.53261800
 C                  0.09894100   -2.24496900    2.28299000
 C                  3.06339500   -1.06337000    2.25488900
 C                 -0.81793600   -2.74807100   -0.68340300
 C                  1.52755600   -1.69656400   -2.63597500
 C                  3.94123400   -0.72001900   -0.80751500
 H                 -1.65938500   -2.31260400   -0.13855900
 H                 -1.00287400   -2.63035800   -1.75084300
 H                 -0.78021500   -3.81823800   -0.45457500
 H                 -0.96952300   -2.11552200    2.09611100
 H                  0.26900800   -3.29101400    2.56097500
 H                  0.39027700   -1.61882800    3.12820000
 H                  2.44188600   -0.66183100    3.05834500
 H                  3.54054200   -1.97870900    2.62116600
 H                  3.84459900   -0.33715300    2.02582600
 H                  4.34853500    0.03177400   -0.12998800
 H                  4.65580300   -1.54817900   -0.86888100
 H                  3.84368600   -0.27870400   -1.80028900
 H                  0.50934300   -1.71433700   -3.02649900
 H                  2.04482300   -0.83322100   -3.05996800
 H                  2.04171800   -2.60228900   -2.97528500
 C                 -5.17915600   -0.75846900   -1.03809600
 H                 -5.90075900   -0.02524300   -0.66486400
 H                 -5.41602100   -0.96875100   -2.08302600
 H                 -5.32659300   -1.68285100   -0.46885800

-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






