%nprocshared=20
%mem=8000MB
%chk=CGET_0010_TS_more.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                  2.73818800    1.25484600   -0.00025000
 C                  2.48853400   -0.11985200   -0.12705100
 C                  3.89017900    1.80120900    0.61064700
 C                  3.43840200   -1.00263400    0.37075400
 C                  4.80925800    0.86989200    1.08584600
 C                  4.59242200   -0.50163700    0.96611600
 H                  3.28539500   -2.07420300    0.30759800
 H                  5.71590800    1.22993100    1.56067700
 H                  5.33746400   -1.19266400    1.34845300
 Rh                 0.76043000   -0.60457400   -1.05363100
 C                  1.35588800   -1.17921200   -3.07399900
 H                  2.03300300   -0.59084000   -3.67807700
 C                 -0.09189100   -1.11633300   -3.11916900
 H                 -0.67054200   -0.42181200   -3.71300100
 C                 -0.59782100   -2.05096700   -2.21665300
 H                 -1.63932200   -2.22777900   -1.99370400
 C                  1.71944100   -2.22487600   -2.18339600
 H                  2.72700800   -2.53692500   -1.94902700
 C                  0.52494000   -2.69334500   -1.56198600
 H                  0.46047900   -3.47612700   -0.81812300
 O                  0.76909500    1.50289900   -1.15525800
 O                  1.74068500    3.29299500   -0.49730200
 C                  4.16909700    3.26866500    0.76735500
 H                  4.20908200    3.77428200   -0.20135900
 H                  5.12775500    3.40415100    1.27175100
 H                  3.39005100    3.76378800    1.35268800
 N                  1.72479400    2.08544300   -0.55884000
 Si                -2.60038000    0.45940800    0.15590400
 C                 -3.04758100    1.29966500    1.79679300
 C                 -2.51497200    1.67947300   -1.28912600
 C                 -3.62503500   -1.08879200   -0.26302700
 H                 -2.23843200    2.02745700    1.95503800
 H                 -1.79425600    1.24071900   -1.99444800
 H                 -3.47882700   -1.24437000   -1.34206900
 C                 -3.04661000    0.32758300    2.98471500
 C                 -4.36868400    2.08468100    1.74217800
 C                 -3.17198000   -2.36128500    0.46891800
 C                 -5.12875600   -0.86154500   -0.03369600
 C                 -1.97808700    3.05488600   -0.86400900
 C                 -3.85495700    1.82783700   -2.02645100
 H                 -3.77163200   -3.22053400    0.14528500
 H                 -2.11994700   -2.60028900    0.28540700
 H                 -3.29960100   -2.26305400    1.55227600
 H                 -5.35185000   -0.77946800    1.03532800
 H                 -5.50242900    0.04200900   -0.52469300
 H                 -5.70334000   -1.71045600   -0.42260900
 H                 -4.51419100    2.63824800    2.67754300
 H                 -4.39281200    2.81079700    0.92428400
 H                 -5.22916900    1.41985600    1.62179200
 H                 -3.20808200    0.86836500    3.92483200
 H                 -3.84778700   -0.41421400    2.89316800
 H                 -2.09982500   -0.21509500    3.07993600
 H                 -4.63432700    2.23120700   -1.37005900
 H                 -3.74862300    2.52406300   -2.86708700
 H                 -4.21578800    0.87613400   -2.43024500
 H                 -1.02990700    2.98506300   -0.32507200
 H                 -1.80358600    3.68318800   -1.74544900
 H                 -2.69359800    3.58249400   -0.22463700
 C                 -0.85874900   -0.19448000    0.48360500
 C                  0.08510200   -0.76668000    1.06373300
 Br                 0.84508400   -1.54764800    2.52958900

-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






