%nprocshared=12
%mem=2GB
%chk=CGET_0021_TS_CH_Cpstar_paraOMe_less_2_33.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                  1.56840600    1.78816700   -1.26242300
 C                  2.41267500    2.32537800   -0.47615200
 O                  2.81683000    1.65002900    0.51871200
 C                 -2.01218300    1.04287500    0.44180900
 C                 -1.62970900    1.46719300   -0.83150000
 C                 -3.18470800    0.33978900    0.72417000
 C                 -2.48148700    1.18865700   -1.88495500
 C                 -4.01520300    0.06840000   -0.38626200
 C                 -3.66827100    0.49090300   -1.67064400
 H                 -0.70261200    2.00917700   -0.97762800
 H                 -2.22672200    1.51776400   -2.88632100
 H                 -4.31849700    0.28070600   -2.51131300
 Rh                 1.42819300    0.03896200    0.04782900
 C                  0.72069100   -1.88370300    0.74174500
 C                  2.12602400   -1.75689000    0.97358600
 C                  2.76838600   -1.55070400   -0.30868200
 C                  0.47510500   -1.75239300   -0.67037300
 C                  1.74618900   -1.56577700   -1.31998600
 C                  2.87618900    3.73098900   -0.69027600
 H                  2.78874100    4.00997300   -1.74100400
 H                  2.23921900    4.39563400   -0.09698800
 H                  3.90485000    3.84969200   -0.34615900
 O                  0.10760900    1.38141700    1.35133600
 O                 -1.59602000    1.78767000    2.58301900
 C                 -3.59443000   -0.17080400    2.07776200
 H                 -2.74957800   -0.28759600    2.75620600
 H                 -4.09272200   -1.13517300    1.96672300
 H                 -4.30595000    0.51568900    2.54756700
 N                 -1.12327700    1.41073200    1.53353800
 C                 -0.32481600   -2.07306100    1.78577400
 C                  2.82168100   -1.84167500    2.28761600
 C                 -0.84161300   -1.89929100   -1.35037200
 C                  1.95850300   -1.39055000   -2.78205800
 C                  4.23111500   -1.38894600   -0.53660300
 H                 -1.66179200   -1.57650700   -0.70785100
 H                 -0.88078200   -1.32395200   -2.27633000
 H                 -0.99915200   -2.95518900   -1.59639300
 H                 -1.28988900   -1.69397300    1.44588200
 H                 -0.43603800   -3.14276400    1.99276400
 H                 -0.05638300   -1.57316300    2.71863700
 H                  2.13420400   -1.64882600    3.11228400
 H                  3.23841400   -2.84694800    2.41214500
 H                  3.64400700   -1.12538300    2.34529700
 H                  4.73127200   -1.02118200    0.36047600
 H                  4.66348300   -2.36066600   -0.79813800
 H                  4.43213800   -0.69404700   -1.35421800
 H                  1.11487000   -0.87783900   -3.24723000
 H                  2.86961600   -0.82763100   -2.98923800
 H                  2.05462200   -2.37842100   -3.24625900
 O                 -5.14309800   -0.61193500   -0.09894100
 C                 -6.01339300   -0.96448500   -1.16412800
 H                 -6.83472700   -1.51559000   -0.70650400
 H                 -6.41177500   -0.07515000   -1.66421800
 H                 -5.50886400   -1.60526900   -1.89569000

-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






