%nprocshared=20
%mem=8000MB
%chk=CGET_0004_TS_CH_AMLA_2.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                 -0.67313900    2.82372400    0.83470300
 C                 -0.49916100    2.65926400   -0.45827600
 O                 -0.60392700    1.56566300   -1.02064400
 C                  1.85163400   -0.50769200   -0.08578900
 C                  0.75609100   -0.23907900    0.75077000
 C                  3.20281300   -0.40760100    0.31122500
 C                  1.02373900    0.13893300    2.06135900
 C                  3.40716100   -0.01731000    1.63416700
 C                  2.34433700    0.24926100    2.49316800
 H                 -0.87059800    1.96711700    1.25483200
 H                  0.21329800    0.34778700    2.75283500
 H                  4.42557800    0.07631700    1.99675800
 H                  2.55006200    0.54424200    3.51758500
 Rh                -1.04485700   -0.37264700   -0.13305500
 C                 -2.03012700   -2.16751000    0.45772600
 H                 -1.54605500   -3.13449800    0.45193500
 C                 -2.89006800   -1.64207700   -0.59256500
 H                 -3.06201500   -2.11417500   -1.55046000
 C                 -3.34035000   -0.38947300   -0.19768600
 H                 -3.93646300    0.29380900   -0.78671000
 C                 -2.06700100   -1.25415900    1.55207000
 H                 -1.56206100   -1.37464500    2.50037700
 C                 -2.77694400   -0.10330600    1.11390000
 H                 -2.97851600    0.78269100    1.70193900
 C                 -0.16803800    3.90771800   -1.19735300
 H                  0.72779300    4.35863300   -0.76271600
 H                 -0.00742100    3.68763900   -2.25101500
 H                 -0.98911900    4.62115500   -1.08309400
 O                  0.25757700   -0.99901200   -1.67601600
 O                  2.30730600   -1.13771200   -2.27645500
 C                  4.38839600   -0.68451100   -0.56811500
 H                  4.37234300   -1.70716300   -0.95410800
 H                  5.30706700   -0.53954500    0.00347600
 H                  4.40752000   -0.01819500   -1.43473700
 N                  1.49281700   -0.89972800   -1.41567500

-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






