%nprocshared=20
%mem=8000MB
%chk=CGET_0004_TS_CH_AMLA.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                  1.69569300   -1.19726900    1.13753100
 C                  2.58402400   -1.54270500    0.29265900
 O                  2.76717300   -0.77147100   -0.70184700
 C                 -1.98197600   -0.83403800   -0.13758400
 C                 -1.47419400   -1.26863300    1.08539200
 C                 -3.15818700   -0.08663600   -0.27757900
 C                 -2.17584200   -0.96064100    2.24004600
 C                 -3.81799500    0.22560300    0.91460700
 C                 -3.34608500   -0.20811400    2.14987300
 H                 -0.55406100   -1.84037500    1.12369900
 H                 -1.80970000   -1.30541900    3.20042900
 H                 -4.72497100    0.81957200    0.86326600
 H                 -3.89625600    0.04523200    3.05029300
 Rh                 1.13408600    0.46918700   -0.09901600
 C                 -0.21166800    2.13917100   -0.42916000
 H                 -1.15923300    2.01863100   -0.93878400
 C                  1.04288000    2.39562300   -1.05763100
 H                  1.21024600    2.54513800   -2.11510200
 C                  2.04415400    2.39748800   -0.03254000
 H                  3.10809000    2.52313500   -0.18393900
 C                  0.00115700    1.95466600    0.96392900
 H                 -0.75355200    1.70169100    1.69571300
 C                  1.40582600    2.12098900    1.21267000
 H                  1.90134200    2.00945700    2.16776000
 C                  3.35063000   -2.81222900    0.43746800
 H                  3.23167300   -3.22202000    1.44053200
 H                  2.97304600   -3.53301900   -0.29456700
 H                  4.40613500   -2.63398300    0.22137700
 O                  0.02945300   -1.05968600   -1.29963800
 O                 -1.78471400   -1.60616100   -2.29963900
 C                 -3.69395000    0.40117300   -1.59561700
 H                 -2.90405100    0.74646800   -2.26830900
 H                 -4.38789700    1.22695100   -1.42778400
 H                 -4.23322800   -0.39754500   -2.11268000
 N                 -1.21641600   -1.18155900   -1.32237900

-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






