%nprocshared=20
%mem=2GB
%chk=CGET_0017_TS_Hmore.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                  0.66602200    3.01577400    0.70462700
 C                  0.08542800    2.96621700   -0.47550900
 O                 -0.30922800    1.91920200   -0.98974800
 C                  2.31667900   -0.43910300   -0.24888300
 C                  1.26659000   -0.12902800    0.63224300
 C                  3.68060700   -0.47807500    0.11113900
 C                  1.61259400    0.17490700    1.94811100
 C                  3.95720800   -0.16685300    1.44376100
 C                  2.94954300    0.16024400    2.34477500
 H                  0.77472100    2.11139800    1.05409100
 H                  0.84301400    0.42575400    2.67290600
 H                  4.98994900   -0.18272500    1.77615600
 H                  3.20886500    0.39954600    3.37169800
 Rh                -0.59525300   -0.12573700   -0.17326200
 C                 -1.70730900   -1.90949900    0.15086200
 C                 -2.56738200   -1.10536300   -0.72075000
 C                 -2.84071500    0.09379500   -0.05625400
 C                 -1.57530800   -1.23296500    1.40750500
 C                 -2.15987300    0.06503000    1.24380500
 C                 -0.03081400    4.28679300   -1.15727800
 H                 -0.26178200    5.07094600   -0.43449800
 H                  0.93503600    4.52103100   -1.61684100
 H                 -0.79231300    4.23847700   -1.93441900
 O                  0.66403200   -0.68578100   -1.84538300
 O                  2.68760000   -0.96932000   -2.48339700
 C                  4.81925800   -0.82262400   -0.80691300
 H                  4.69308500   -1.81463600   -1.24819900
 H                  5.75641700   -0.80301600   -0.24691200
 H                  4.89239000   -0.11402000   -1.63603900
 N                  1.89859400   -0.71706600   -1.59936900
 C                 -1.23018000   -3.28834800   -0.15639100
 C                 -3.00058100   -1.52531400   -2.08572200
 C                 -0.96760000   -1.80646400    2.64274300
 C                 -2.26682300    1.13348500    2.28174200
 C                 -3.61726700    1.26246700   -0.55923600
 H                 -0.05744600   -2.36799000    2.42237800
 H                 -0.73389600   -1.03497500    3.37703400
 H                 -1.68764500   -2.49515200    3.09787000
 H                 -0.33293600   -3.53313900    0.41582100
 H                 -2.01069100   -4.01173700    0.10467500
 H                 -1.00790900   -3.40157500   -1.21954800
 H                 -2.16509200   -1.94816000   -2.64972500
 H                 -3.77222400   -2.29901100   -2.00912000
 H                 -3.41026400   -0.68785300   -2.65259200
 H                 -3.81253800    1.18432800   -1.62969300
 H                 -4.57689900    1.31955000   -0.03405400
 H                 -3.08275000    2.19766200   -0.37300900
 H                 -1.46491900    1.05066700    3.01942400
 H                 -2.21588600    2.12683800    1.82935300
 H                 -3.22379400    1.05060300    2.80829500

-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






