%nprocshared=20
%mem=8000MB
%chk=CGET_0021_TS_CH_H_Cpstar_OCH3_spbs.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                  0.53457200    2.89076600   -1.12212200
 C                  1.76715800    2.73134500   -0.87887600
 O                  2.25959700    1.65539000   -0.43203300
 C                 -1.66177400    0.84655600    0.55272000
 C                 -0.89226300    0.77649400   -0.62476400
 C                 -2.99012500    0.46173500    0.69011800
 C                 -1.57050200    0.33531800   -1.76111400
 C                 -3.61121600    0.02080000   -0.50749300
 C                 -2.91254900   -0.02531400   -1.71687900
 H                 -0.06938200    1.79953200   -0.87014000
 H                 -1.04328800    0.28889400   -2.70945400
 H                 -3.40873000   -0.34857100   -2.62386500
 Rh                 1.08213200   -0.04601500    0.04617100
 C                  1.04326900   -1.90998500    1.12245800
 C                  2.41749900   -1.47541100    0.93907900
 C                  2.66737500   -1.42229900   -0.46601500
 C                  0.45768200   -2.11713500   -0.15709100
 C                  1.44543400   -1.75754800   -1.15516400
 C                  2.69852700    3.88879900   -1.09840800
 H                  2.28308600    4.59026300   -1.82227200
 H                  2.82611700    4.40720000   -0.14236900
 H                  3.67650900    3.53227200   -1.42489900
 O                  0.29831300    1.22558000    1.73878500
 O                 -1.52375100    2.00319600    2.56605600
 C                 -3.77649400    0.44693800    1.97094700
 H                 -3.14214000    0.25534000    2.83715700
 H                 -4.54557100   -0.32403600    1.91901900
 H                 -4.27559600    1.40751800    2.13115100
 N                 -0.94200300    1.38672700    1.70332700
 C                  0.36129600   -2.10209000    2.43254800
 C                  3.39769700   -1.20796900    2.03004100
 C                 -0.91206900   -2.65279000   -0.39900300
 C                  1.28288000   -1.85170200   -2.63378300
 C                  3.94611600   -1.03845900   -1.12322700
 H                 -1.65106300   -2.15697500    0.23536800
 H                 -1.21507300   -2.53075500   -1.43818000
 H                 -0.92245900   -3.72116300   -0.15929400
 H                 -0.72035800   -1.98985000    2.33434600
 H                  0.56615200   -3.11346000    2.80032300
 H                  0.72363400   -1.39200900    3.17860200
 H                  2.90344700   -0.79763400    2.91294400
 H                  3.88751000   -2.14414900    2.31894100
 H                  4.16709800   -0.50412800    1.70801700
 H                  4.55809000   -0.40962700   -0.47561100
 H                  4.51022900   -1.94957800   -1.35165400
 H                  3.76854000   -0.50803200   -2.06033500
 H                  0.23148000   -1.81473600   -2.92212800
 H                  1.80816700   -1.03959800   -3.14136100
 H                  1.70355200   -2.79942000   -2.98700400
 O                 -4.89895000   -0.33223800   -0.37858900
 C                 -5.60355100   -0.80350000   -1.52103500
 H                 -6.60990500   -1.03324300   -1.17232200
 H                 -5.65509900   -0.03426900   -2.29828900
 H                 -5.14143500   -1.71044500   -1.92480800

-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






