%nprocshared=20
%mem=16000MB
%chk=CGET_0013_TS.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                 -1.90911700   -0.98064500    0.99656400
 C                 -4.49749200   -1.01623600    2.06600300
 C                 -0.50897800   -0.94798500    0.51321700
 C                  0.44613300   -0.05362500    0.49034300
 C                 -3.03626000   -0.65461100    0.22988800
 C                 -4.34625400   -0.66140800    0.72400700
 C                 -2.11897200   -1.34191600    2.32703800
 C                 -3.40426100   -1.35410900    2.85479500
 H                 -5.49404400   -1.01609000    2.49471200
 H                 -3.55291400   -1.62083900    3.89559900
 H                 -1.26859200   -1.60701900    2.94512400
 C                  0.03843200    3.16733700    1.64016100
 C                 -0.74861000    2.19645000    2.34396200
 C                 -0.85208300    3.90877000    0.76815300
 H                 -0.39700900    1.50044900    3.09156700
 H                 -0.54613000    4.69012300    0.08598600
 C                 -2.05469900    2.24294900    1.80130400
 H                 -2.87470300    1.59251600    2.07913100
 C                 -2.12423300    3.34121600    0.85516700
 H                 -2.99303800    3.61754700    0.27337000
 H                  1.08424100    3.38553300    1.80463500
 Si                 2.32482400   -0.14376600    0.93688900
 Br                -0.15091700   -3.04262100   -0.07295200
 C                  3.23348400    1.53652400    0.88423300
 H                  2.85605700    2.07514200    1.76606000
 C                  2.13979000   -0.62333200    2.78798000
 H                  1.31395800    0.01768500    3.13057100
 C                  3.21335000   -1.45674200   -0.11617800
 H                  2.48707300   -2.27029400   -0.22451700
 O                  0.26075700    2.23455800   -1.61664500
 C                  0.70115500    1.76714100   -2.71015500
 O                  0.72745400    0.57150500   -3.08720800
 Ag                 0.19809300   -1.36773600   -2.20110800
 C                  1.27219900    2.78918200   -3.67216800
 H                  2.33337100    2.57289300   -3.82825100
 H                  0.77310800    2.69710500   -4.64044600
 H                  1.16061100    3.80431200   -3.29107900
 Rh                -0.64105000    1.74199000    0.23943700
 O                 -1.94155700    0.64339900   -1.34259300
 O                 -3.49282100   -0.67500300   -2.02828800
 N                 -2.82049100   -0.21185100   -1.13361500
 C                  4.75006000    1.33545400    1.08958500
 C                  3.04362000    2.44453400   -0.33566200
 C                  3.56529100   -0.94779700   -1.52370500
 C                  4.45957000   -2.06380000    0.55049700
 C                  3.34675200   -0.29551300    3.67979900
 C                  1.71226000   -2.07776700    3.02013800
 H                  5.22534100    2.30160100    1.29771500
 H                  5.00696800    0.66223200    1.90948200
 H                  5.21395300    0.93969500    0.18036300
 H                  3.61143100    0.76543200    3.65435300
 H                  3.11739100   -0.54690400    4.72294700
 H                  4.23189800   -0.87518600    3.39570200
 H                  2.49606000   -2.78250100    2.72396000
 H                  1.50610600   -2.24991300    4.08370900
 H                  0.81289200   -2.34910200    2.46406200
 H                  3.31858600    1.93247100   -1.26421100
 H                  2.02036600    2.79584700   -0.45009600
 H                  3.69564100    3.32303600   -0.24658000
 H                  5.26130400   -1.32859300    0.66393100
 H                  4.24802200   -2.48057500    1.53929000
 H                  4.85261300   -2.87850900   -0.07015800
 H                  3.89177300   -1.77753500   -2.16288000
 H                  2.72536600   -0.45242900   -2.02526300
 H                  4.38492800   -0.22229800   -1.48921200
 C                 -5.54493500   -0.26206300   -0.09262100
 H                 -5.35836800    0.64387900   -0.67647100
 H                 -5.82700200   -1.05422000   -0.79066900
 H                 -6.39023300   -0.07169100    0.57095300

-C -H -O -Si -N -F -Cl
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






