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

Title Card Required

1 1
 O                 -3.52777100    2.89519700   -0.12847700
 C                 -2.97896700    2.39748100   -1.21417500
 O                 -2.92396600    1.18710900   -1.44840200
 C                 -0.81531900   -0.15350700    0.71917700
 C                 -2.13331500    0.11021400    1.10986400
 C                  0.31836600    0.27062900    1.44821900
 C                 -2.32692800    0.80484800    2.30120600
 C                  0.07057800    0.96258800    2.63863400
 C                 -1.23120300    1.21801600    3.05710600
 H                 -3.85459800    2.17218000    0.43711400
 H                 -3.33100500    1.03270800    2.64583900
 H                  0.91437600    1.30101900    3.22887200
 H                 -1.39214300    1.75330400    3.98741800
 Rh                -3.53361900   -0.50002800   -0.20047100
 C                 -4.55656200   -2.23526800    0.49581500
 H                 -4.04106800   -3.11372700    0.85989900
 C                 -5.08278200   -2.05606000   -0.84959200
 H                 -4.93518700   -2.74052000   -1.67377300
 C                 -5.69641600   -0.81206200   -0.90808700
 H                 -6.11791700   -0.34545800   -1.78800400
 C                 -4.97022000   -1.12044500    1.28289900
 H                 -4.76779900   -0.97396100    2.33471500
 C                 -5.57464200   -0.18372500    0.39997500
 H                 -5.98699200    0.77781600    0.67512300
 C                 -2.41787000    3.41658700   -2.14229800
 H                 -3.18915500    4.14925400   -2.39178900
 H                 -1.60511800    3.94567600   -1.63600900
 H                 -2.04372700    2.93545600   -3.04377100
 O                 -1.75361600   -1.27964400   -1.05611700
 O                  0.38638600   -1.18563900   -0.97827600
 N                 -0.68303900   -0.90293000   -0.49628200
 C                  1.67000700    0.07136700    1.04113900
 C                  2.84755600   -0.02232500    0.74797300
 Si                 4.59270600   -0.19616500    0.13141700
 C                  5.09347700   -1.97454500    0.56406500
 C                  5.66007600    1.06816000    1.06653300
 C                  4.44270900    0.09248600   -1.73997600
 H                  3.62358200   -0.57570600   -2.04391200
 C                  4.30340800   -2.99641700   -0.26562000
 H                  4.52475400   -4.01949900    0.06204300
 H                  3.22181700   -2.84598100   -0.17550500
 H                  4.56015400   -2.93210500   -1.32928900
 C                  5.68643900   -0.30886200   -2.54658300
 H                  5.51088200   -0.15387600   -3.61846700
 H                  6.56305000    0.28705700   -2.27183800
 H                  5.94220500   -1.36359000   -2.40676400
 C                  4.01266500    1.52992700   -2.06709500
 H                  3.81295500    1.64117000   -3.14009700
 H                  3.10178300    1.81711300   -1.53007900
 H                  4.79548400    2.25090500   -1.80613000
 C                  4.91496800    2.36711100    1.40726900
 H                  5.55505100    3.03296500    1.99933300
 H                  4.62442500    2.91196200    0.50196200
 H                  4.00509300    2.17900700    1.98590000
 C                  6.97647400    1.38142900    0.33779000
 H                  6.79106800    1.92566500   -0.59487800
 H                  7.61951800    2.01431300    0.96179800
 H                  7.54513100    0.47997500    0.08776800
 H                  5.91136900    0.57071000    2.01538300
 C                  6.60440100   -2.23508600    0.48306200
 H                  7.17002200   -1.58282700    1.15652300
 H                  6.82790400   -3.27121600    0.76633500
 H                  6.99353400   -2.08650800   -0.53014100
 H                  4.79713200   -2.09663700    1.61615600

-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






