%nprocshared=20
%mem=8000MB
%chk=CGET_TS_CHactivation_4membered.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                 -2.19402900   -1.01724800    1.43976000
 H                 -2.45955900   -0.30427900    2.20577300
 C                 -2.91220100   -1.23746000    0.21281600
 H                 -3.76695100   -0.66590000   -0.12214900
 C                 -2.22969400   -2.22183600   -0.52860600
 H                 -2.48305700   -2.56589400   -1.52189200
 C                 -1.10301400   -1.94395500    1.47976300
 H                 -0.36355000   -2.02329600    2.26504800
 C                 -1.08801700   -2.64700400    0.24699200
 H                 -0.35161600   -3.37738100   -0.05998400
 Rh                -0.86486500   -0.55108000   -0.15462100
 C                  2.01787600    0.14456100   -0.17614400
 C                  1.07095400    0.90900000    1.89170800
 C                  3.32646300    0.16305100    0.31323000
 C                  2.36136300    0.95194000    2.42370400
 H                  0.21678700    1.20825100    2.48975400
 C                  3.45107000    0.57793500    1.65072600
 H                  2.51701700    1.27063400    3.44891300
 H                  4.44498500    0.60249300    2.08598200
 O                 -1.02701100    1.52313100   -0.84691100
 O                 -2.63256600    1.94867300    0.66970800
 C                 -1.95517300    2.30932200   -0.26901900
 C                 -2.04977900    3.65908600   -0.92303900
 H                 -1.09129300    4.17693500   -0.82321700
 H                 -2.24671300    3.53735100   -1.99147600
 H                 -2.84088000    4.24816300   -0.45995300
 C                  0.88273100    0.49714800    0.57671300
 H                 -0.06610200    1.22689100   -0.07912600
 O                  0.55002700   -0.58379700   -1.81873900
 O                  2.59215200   -0.27710200   -2.38747900
 N                  1.73358800   -0.26285500   -1.54000900
 C                  4.55429800   -0.23885100   -0.45274800
 H                  5.40347600   -0.30488800    0.22964400
 H                  4.42516400   -1.20512100   -0.94691300
 H                  4.78818300    0.49324100   -1.23017300

-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






