%nprocshared=8
%mem=8000MB
%chk=CGET_0016_TSCH_more_C6H5NO2.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                 -0.23634000    2.80100100    1.06977000
 C                 -0.08200000    2.71097400   -0.23207200
 O                 -0.32499400    1.68229300   -0.86918800
 C                  1.95699600   -0.70969000   -0.30759200
 C                  0.96532100   -0.41600400    0.63043000
 C                  3.31568700   -0.82355800   -0.01373600
 C                  1.38732800   -0.23241000    1.94731600
 C                  3.70125900   -0.63501300    1.30261500
 C                  2.73844100   -0.34220300    2.27417800
 H(Iso=2)          -0.55327900    1.95057800    1.42540600
 H(Iso=2)           0.66690600   -0.00605900    2.72699700
 H(Iso=2)           4.74673300   -0.71929400    1.57662900
 H(Iso=2)           3.04769800   -0.19942900    3.30509100
 Rh                -0.88837100   -0.28543600   -0.12914600
 C                 -2.02985400   -2.06504000    0.15335400
 H                 -1.66693600   -3.03308200   -0.16563200
 C                 -2.93892800   -1.21221400   -0.59704000
 H                 -3.30052100   -1.40587700   -1.59742500
 C                 -3.15822000   -0.06471200    0.15444600
 H                 -3.72098500    0.80617300   -0.15460900
 C                 -1.79834400   -1.46566300    1.42363800
 H                 -1.19506300   -1.87508800    2.22185300
 C                 -2.40192000   -0.17569800    1.39391900
 H                 -2.42047100    0.53760700    2.20738300
 C                  0.40591000    3.95888800   -0.88014600
 H                 -0.32861800    4.75400800   -0.72416200
 H                  1.34015100    4.26976500   -0.40518500
 H                  0.55898100    3.79263200   -1.94464900
 O                  0.26602300   -0.82727100   -1.86260500
 O                  2.27611100   -1.13286900   -2.55957200
 N                  1.50765300   -0.90357900   -1.65561700
 H(Iso=2)           4.03204800   -1.05345300   -0.79392000

 -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






