%nprocshared=20
%mem=2GB
%chk=CGET_0021_I1_CH_Cpstar_Cl_less.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                  1.49882000    1.92035800   -1.00032100
 C                  2.33480200    2.38086300   -0.15693900
 O                  2.74022100    1.60583400    0.76153100
 C                 -2.04158300    0.99751200    0.50013300
 C                 -1.63010800    1.67363700   -0.64288800
 C                 -3.19228400    0.20308300    0.58765400
 C                 -2.42088200    1.58977000   -1.77821600
 C                 -3.94467600    0.14988300   -0.59305400
 C                 -3.58447200    0.82888900   -1.75266000
 H                 -0.71460900    2.25410300   -0.63593500
 H                 -2.13765400    2.12074600   -2.67956600
 H                 -4.21245700    0.75732700   -2.63349700
 Rh                 1.39949700    0.03298000    0.08374900
 C                  0.97813600   -1.98430500    0.70997700
 C                  2.38795600   -1.79207600    0.60653700
 C                  2.68293700   -1.39802400   -0.75883600
 C                  0.39058800   -1.75100600   -0.59168000
 C                  1.44333300   -1.41147700   -1.49661000
 C                  2.79486900    3.80147600   -0.21994400
 H                  2.57829000    4.23767900   -1.19530600
 H                  2.26820600    4.37172500    0.55212100
 H                  3.86436400    3.85811800   -0.00758600
 O                  0.02393400    1.14570900    1.56359100
 O                 -1.74437400    1.41687500    2.74503400
 C                 -3.57078900   -0.59519300    1.80366900
 H                 -2.74317800   -0.70536500    2.50325900
 H                 -3.90513500   -1.59186700    1.50779700
 H                 -4.39538800   -0.11317600    2.33784400
 N                 -1.21168900    1.18227000    1.68332600
 C                  0.21744400   -2.34409500    1.93965900
 C                  3.39310300   -1.93067100    1.69524500
 C                 -1.03986600   -1.93892300   -0.96077900
 C                  1.26878500   -1.08157300   -2.93663900
 C                  4.03380700   -1.12153700   -1.32076300
 H                 -1.68452700   -1.92855300   -0.08181700
 H                 -1.37984500   -1.16676700   -1.65438900
 H                 -1.15399900   -2.91021100   -1.45412100
 H                 -0.77502600   -1.88695600    1.93308600
 H                  0.08697900   -3.43050100    1.98241400
 H                  0.73999500   -2.02311500    2.84210200
 H                  2.93050100   -1.85101500    2.67980400
 H                  3.87152200   -2.91270000    1.61522900
 H                  4.17119600   -1.16877000    1.61357000
 H                  4.72035400   -0.76793400   -0.55020500
 H                  4.44217300   -2.04445800   -1.74658500
 H                  3.98487300   -0.37282100   -2.11406500
 H                  0.30863800   -0.59156100   -3.11243400
 H                  2.06820600   -0.43510000   -3.30130700
 H                  1.28769600   -2.01186700   -3.51517800
 Cl                -5.40424400   -0.81262000   -0.63524100

-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






