%nprocshared=8
%mem=2GB
%chk=CGET_0016_TSmore.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                  0.41876300    3.01961100    0.84183700
 C                  0.27965700    2.93716900   -0.46601900
 O                  0.03213100    1.87995100   -1.04621800
 C                  2.43902100   -0.59622700   -0.44359700
 C                  1.49203800   -0.21227200    0.51031400
 C                  3.80424200   -0.74582600   -0.19819900
 C                  1.99228900    0.04318700    1.79043700
 C                  4.25783200   -0.49021600    1.08469200
 C                  3.35056400   -0.09238700    2.07181600
 H(Iso=2)           0.33466100    2.13039500    1.23045900
 H(Iso=2)           1.31716200    0.34704800    2.58669700
 H(Iso=2)           5.31097600   -0.59869200    1.31821700
 H(Iso=2)           3.70997300    0.10917100    3.07647900
 Rh                -0.41594700   -0.10294400   -0.17608400
 C                 -1.57721600   -1.85603900    0.13303000
 C                 -2.45633700   -0.97282500   -0.63761700
 C                 -2.63796900    0.19823000    0.10685900
 C                 -1.32924500   -1.25311100    1.40739000
 C                 -1.88157200    0.06977400    1.35775000
 C                  0.44723400    4.23386700   -1.18001800
 H                  0.28342400    4.09548000   -2.24711100
 H                 -0.26246100    4.96273900   -0.77945900
 H                  1.45557700    4.61707700   -1.00108500
 O                  0.70823200   -0.72758300   -1.95965100
 O                  2.68831800   -1.15826400   -2.67567900
 N                  1.94382000   -0.84714800   -1.77232100
 C                 -1.16644500   -3.22663200   -0.28687600
 C                 -2.99460600   -1.29990600   -1.99069000
 C                 -0.65480600   -1.89719800    2.57056300
 C                 -1.91441900    1.04612800    2.48768900
 C                 -3.38765300    1.42636600   -0.28588100
 H                  0.16618300   -2.54352400    2.25538600
 H                 -0.26722000   -1.15819900    3.27352000
 H                 -1.38708000   -2.51392900    3.10296700
 H                 -0.25017200   -3.53801900    0.21864100
 H                 -1.95861000   -3.93874600   -0.03059600
 H                 -1.00439000   -3.27683800   -1.36561300
 H                 -2.20881700   -1.68690400   -2.64513500
 H                 -3.76488100   -2.07407300   -1.90643100
 H                 -3.43934700   -0.42579900   -2.46861000
 H                 -4.33686300    1.47041600    0.25903900
 H                 -2.82159600    2.32753300   -0.03401900
 H                 -3.60102700    1.44470800   -1.35553800
 H                 -0.98636500    1.01925400    3.06586100
 H                 -2.07182800    2.06569800    2.12900700
 H                 -2.73799900    0.79886900    3.16611100
 H(Iso=2)           4.47638200   -1.05334900   -0.99095100

-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






