%nprocshared=12
%mem=2GB
%chk=CGET_0021_TS_CH_Cpstar_paraCH3_less.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                  1.28604800    2.01996100   -0.89626200
 C                  2.07652800    2.45652200    0.00025900
 O                  2.49809000    1.63987400    0.87442200
 C                 -2.25566100    0.81480700    0.42260000
 C                 -1.81896900    1.51342900   -0.70171900
 C                 -3.40768600    0.01593700    0.45619600
 C                 -2.58340600    1.44114700   -1.85259700
 C                 -4.15935100   -0.04698100   -0.73501000
 C                 -3.74131800    0.66855400   -1.85897400
 H                 -0.91636000    2.11225900   -0.65966400
 H                 -2.28272400    1.98972000   -2.73828400
 H                 -4.34107500    0.61819100   -2.76297200
 Rh                 1.21693900    0.06060200    0.09446700
 C                  0.49319900   -1.97219100    0.32641400
 C                  1.84737300   -1.85836700    0.77940800
 C                  2.65410100   -1.43801800   -0.34438900
 C                  0.43714200   -1.58129600   -1.05295800
 C                  1.78137600   -1.26155900   -1.47198700
 C                  2.45335000    3.90279500    0.04979300
 H                  2.53282700    4.31136600   -0.95896600
 H                  1.66207000    4.44572500    0.57756100
 H                  3.39059700    4.03792400    0.59082200
 O                 -0.22526500    1.09511300    1.53408400
 O                 -2.02372600    1.12850300    2.69543300
 C                 -3.84505400   -0.77757800    1.65807800
 H                 -3.03873400   -0.95979200    2.36685300
 H                 -4.24425000   -1.74488100    1.34488800
 H                 -4.64174500   -0.25167400    2.19499200
 N                 -1.46492800    1.00460700    1.62779200
 C                 -0.66122500   -2.38571800    1.17100200
 C                  2.35311900   -2.17130000    2.14562300
 C                 -0.76998100   -1.58661800   -1.92613200
 C                  2.19193600   -0.82349300   -2.83372600
 C                  4.12901500   -1.24356100   -0.33621900
 H                 -1.68596600   -1.45684200   -1.34735400
 H                 -0.72299200   -0.79296300   -2.67371700
 H                 -0.83041100   -2.54589500   -2.45142600
 H                 -1.61018700   -2.15723800    0.68592400
 H                 -0.60980200   -3.46713300    1.33563400
 H                 -0.63199200   -1.90075300    2.15023000
 H                  1.55528200   -2.10975000    2.88767900
 H                  2.75870600   -3.18861600    2.15973700
 H                  3.15061600   -1.48441900    2.43709800
 H                  4.48640500   -0.93605800    0.64781200
 H                  4.60967700   -2.19468100   -0.59096700
 H                  4.43761900   -0.49935900   -1.07209000
 H                  1.36753400   -0.34102200   -3.36080300
 H                  3.03259600   -0.12870800   -2.79069700
 H                  2.50121400   -1.70182000   -3.41106800
 C                 -5.41927300   -0.86996600   -0.79918200
 H                 -6.11632100   -0.59497500   -0.00124900
 H                 -5.92458800   -0.72547700   -1.75649000
 H                 -5.20822900   -1.93932000   -0.68933000

-C -H -O -Si -N -F -Cl
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






