%nprocshared=12
%mem=8000MB
%chk=CGET_0025_TS_2CH_intramolecular.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

0 1
 C                 -3.25181600   -2.65438200    0.99183600
 H                 -3.97400500   -2.48225900    1.77640500
 C                 -3.55140500   -2.92223900   -0.37412000
 H                 -4.53973300   -2.92868400   -0.81005400
 C                 -2.31624900   -3.01166200   -1.08191500
 H                 -2.19982700   -3.16283600   -2.14655100
 C                 -1.81295400   -2.68194000    1.14519400
 H                 -1.27372700   -2.49111100    2.06303200
 C                 -1.24296800   -2.89205000   -0.12064100
 H                 -0.18596900   -2.89279700   -0.35188600
 Rh                -2.47348700   -1.07791000   -0.20135100
 C                 -0.47904900    0.65877400    0.85954700
 C                 -1.98246300    0.33593700    2.67758900
 C                  0.64342600    0.41419300    1.65992500
 C                 -0.89597600    0.11587200    3.52039200
 H                 -2.99212700    0.31761000    3.07595500
 C                  0.39913000    0.14367000    3.01677100
 H                 -1.05322600   -0.08856900    4.57417700
 H                  1.24527100   -0.06032000    3.66363900
 O                 -3.80884800    0.08698800   -1.17382700
 C                 -5.05125800    0.10223800   -0.78610600
 O                 -5.54092200   -0.63591000    0.06601800
 C                 -5.86456900    1.17883000   -1.47123400
 H                 -5.51967600    1.35784300   -2.49143700
 H                 -6.92480000    0.91958700   -1.46708600
 H                 -5.71872000    2.09822200   -0.89562700
 O                 -3.59995900    2.37173200    0.61087100
 O                 -1.85339400    3.11037900   -0.58590400
 C                 -3.01421700    3.21090900   -0.16077000
 C                 -3.86404900    4.40387700   -0.58964900
 H                 -4.62291200    4.64458600    0.15857000
 H                 -3.23480700    5.27663000   -0.78028500
 H                 -4.37878700    4.15181100   -1.52406800
 C                 -1.80108700    0.60133900    1.31348000
 H                 -2.68893500    1.27130500    0.79868700
 O                 -1.08172300    0.23379300   -1.32426000
 O                  0.59902800    1.53649200   -0.99670100
 N                 -0.29560900    0.85259200   -0.57429700
 C                  1.97166300    0.32238500    1.14321300
 C                  3.10097900    0.17146500    0.71705000
 Si                 4.77001600   -0.08082700   -0.04965200
 C                  5.01505200   -1.96036800   -0.25229100
 H                  5.40782500   -2.30353900    0.71582200
 C                  6.07214900    0.62253000    1.14612200
 H                  6.24125700   -0.17959300    1.87946700
 C                  4.73688200    0.82265400   -1.71711300
 C                  3.71601400   -2.73429300   -0.52139100
 H                  3.91989800   -3.80872300   -0.61019300
 H                  2.98788000   -2.59958300    0.28487500
 H                  3.23911600   -2.41549900   -1.45468600
 C                  6.07021000   -2.28450400   -1.32164200
 H                  7.02933400   -1.79420000   -1.12594200
 H                  6.25850600   -3.36445000   -1.36239400
 H                  5.73815400   -1.97533300   -2.31924800
 C                  7.40992600    0.89844100    0.44118900
 H                  8.16183500    1.23871900    1.16368400
 H                  7.81381200    0.00975300   -0.05466100
 H                  7.30887800    1.68378600   -0.31685300
 C                  5.60255700    1.86016000    1.92466600
 H                  4.68540100    1.66460800    2.48918100
 H                  6.37248700    2.17843500    2.63846400
 H                  5.40423200    2.70788100    1.26006100
 C                  3.67297700    0.25344300   -2.66757900
 H                  3.67824500    0.79726900   -3.62025800
 H                  3.83998600   -0.80437000   -2.89297200
 H                  2.66743300    0.35335400   -2.24224000
 C                  4.54775500    2.33749700   -1.55087000
 H                  5.36721600    2.79871700   -0.99112800
 H                  4.50237100    2.82920500   -2.53061900
 H                  3.61175300    2.56769700   -1.02840300
 H                  5.72488100    0.64975400   -2.16892700

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






