%nprocshared=8
%mem=8000MB
%chk=CGET_0016_Cp_TSCH_C6D5NO2_less_110_spbs.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                  1.41122800    1.19570800   -1.27993500
 C                  2.31191300    1.66959700   -0.51247300
 O                  2.61075900    0.98357100    0.51410900
 C                 -2.23607900    0.68609300    0.39028700
 C                 -1.86446900    0.95984000   -0.92362900
 C                 -3.43531100    0.06820000    0.73127000
 C                 -2.73858800    0.58453400   -1.93518600
 C                 -4.28359300   -0.31782500   -0.29807700
 C                 -3.93668100   -0.05949600   -1.62430300
 H(Iso=2)          -0.92965900    1.46374500   -1.14351700
 H(Iso=2)          -2.48519900    0.79791800   -2.96758000
 H(Iso=2)          -5.21703500   -0.81760800   -0.06469300
 H(Iso=2)          -4.60946000   -0.35703400   -2.42175500
 Rh                 1.05314100   -0.41933400    0.07518600
 C                  0.06696400   -2.19337300    0.83586600
 H                 -0.69093100   -2.13832100    1.60702800
 C                  1.46426000   -2.28885400    1.05907000
 H                  1.95469500   -2.34487200    2.02087200
 C                  2.11497000   -2.22614800   -0.22207100
 H                  3.18200800   -2.24291700   -0.39859800
 C                 -0.16812700   -2.08199000   -0.57184500
 H                 -1.12934400   -1.96181200   -1.05192600
 C                  1.10060500   -2.11687300   -1.22323600
 H                  1.27271900   -1.99955600   -2.28514400
 C                  2.96088300    2.98341100   -0.78266200
 H                  4.03522400    2.90783800   -0.60223400
 H                  2.76793800    3.30593700   -1.80588800
 H                  2.55317900    3.72290900   -0.08624000
 O                 -0.11178000    1.10826200    1.25190400
 O                 -1.80426600    1.36003100    2.54435800
 N                 -1.34301400    1.06693000    1.46640400
 H(Iso=2)          -3.68241300   -0.11799800    1.76992200

-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






