%nprocshared=8
%mem=8000MB
%chk=CGET_0016_TS_CH_C6H5NO2_110.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Opt freq

1 1
 O                  0.41126700    2.43419800   -1.04138900
 C                  1.56061900    2.29105200   -0.55923600
 O                  1.97270700    1.20840700   -0.02215400
 C                 -2.00528200    0.43301200    0.41939500
 C                 -1.15271300    0.35268300   -0.69065900
 C                 -3.36441500    0.17042700    0.38700100
 C                 -1.74248600   -0.03517500   -1.89791200
 C                 -3.90996300   -0.22340100   -0.83253100
 C                 -3.10453000   -0.32716100   -1.96602500
 H(Iso=2)          -0.26579800    1.25224600   -0.83841500
 H(Iso=2)          -1.13187100   -0.08094300   -2.79388100
 H(Iso=2)          -4.96895400   -0.44755900   -0.89548700
 H(Iso=2)          -3.54489300   -0.62873900   -2.91048800
 Rh                 0.77494400   -0.48119800    0.11809200
 C                  0.50488200   -2.52827800    0.80120300
 H                 -0.22080400   -2.80542600    1.55362800
 C                  1.86002800   -2.09022900    1.05258100
 H                  2.32826200   -1.99613300    2.02290300
 C                  2.46038400   -1.79549700   -0.19692000
 H                  3.45284400   -1.39022600   -0.34179500
 C                  0.28082800   -2.48151200   -0.59051800
 H                 -0.65168700   -2.70305000   -1.09139900
 C                  1.47503900   -1.97404800   -1.21968100
 H                  1.61686700   -1.80491200   -2.27809800
 C                  2.54555300    3.42452300   -0.61375400
 H                  3.34416900    3.16349000   -1.31415000
 H                  2.06002300    4.34310800   -0.94116400
 H                  2.99865400    3.56440600    0.37022000
 O                 -0.15488400    0.62343500    1.79316300
 O                 -2.05579100    1.24364300    2.58580100
 N                 -1.39334900    0.79464800    1.68294900
 H(Iso=2)          -3.96990000    0.24926100    1.28229700

-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






