%nprocshared=8
%mem=8000MB
%chk=CGET_0016_TSCH_more_C6H5NO2_spbs_110.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                 -0.23619400    2.80143500    1.07112100
 C                 -0.08177600    2.71129300   -0.23072900
 O                 -0.32507400    1.68284600   -0.86814600
 C                  1.95702800   -0.70933200   -0.30795000
 C                  0.96531900   -0.41642100    0.63027500
 C                  3.31572200   -0.82331800   -0.01415700
 C                  1.38724100   -0.23418300    1.94738200
 C                  3.70124600   -0.63585400    1.30235900
 C                  2.73836400   -0.34410100    2.27417300
 H                 -0.55326900    1.95115400    1.42694000
 H                  0.66677000   -0.00879100    2.72729800
 H                  4.74672200   -0.72027800    1.57632300
 H                  3.04757100   -0.20231000    3.30523500
 Rh                -0.88836400   -0.28541300   -0.12923500
 C                 -2.02972000   -2.06530600    0.15230900
 H                 -1.66670700   -3.03315800   -0.16714500
 C                 -2.93881500   -1.21215900   -0.59771700
 H                 -3.30035600   -1.40535200   -1.59821100
 C                 -3.15829700   -0.06510000    0.15437300
 H                 -3.72117300    0.80587200   -0.15422700
 C                 -1.79823100   -1.46652300    1.42287700
 H                 -1.19488700   -1.87625800    2.22088500
 C                 -2.40207500   -0.17667900    1.39384300
 H                 -2.42083100    0.53614300    2.20772900
 C                  0.40554800    3.95942600   -0.87877600
 H                 -0.32855200    4.75468700   -0.72152100
 H                  1.34042400    4.26973200   -0.40469000
 H                  0.55739800    3.79368200   -1.94353300
 O                  0.26607100   -0.82603500   -1.86302700
 O                  2.27617500   -1.13109600   -2.56018800
 N                  1.50771600   -0.90238000   -1.65609400
 H                  4.03211800   -1.05252100   -0.79450800

-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






