%nprocshared=8
%mem=2GB
%chk=CGET_0015_product_29_spbs.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

0 1
 C                 -2.26877500    0.99425800    0.27195900
 C                 -2.87721400    2.20739000    0.61316400
 C                 -4.26179200    2.31776300    0.59551300
 C                 -5.05569900    1.22736100    0.25302500
 C                 -4.49340000   -0.00901800   -0.07570600
 C                 -3.10233100   -0.08205300   -0.06233600
 H                 -2.25384800    3.05153300    0.88584600
 H                 -4.72830700    3.26362500    0.84965700
 H                 -6.13638600    1.32929200    0.23784100
 C                 -5.35250600   -1.19194200   -0.43283100
 H                 -6.38557600   -0.87460500   -0.58610000
 H                 -5.00680300   -1.67794400   -1.35038300
 H                 -5.33671900   -1.94036900    0.36449600
 N                 -2.46581600   -1.35370600   -0.42654700
 O                 -1.81738900   -1.38652000   -1.45960600
 O                 -2.62998400   -2.30258800    0.32469300
 Si                 2.16437800    0.28182100    0.12032200
 C                  2.20205400   -1.14272100   -1.13538300
 C                  2.95257400    1.87737000   -0.54152600
 C                  2.83632800   -0.14241900    1.84707600
 H                  1.55949000   -0.78686800   -1.95396000
 H                  2.54435800    2.66918700    0.10411200
 H                  3.04953400    0.83335200    2.30894700
 C                  1.56564400   -2.42405800   -0.57710900
 C                  3.58847700   -1.43163300   -1.72849800
 C                  1.82020500   -0.86803200    2.74142900
 C                  4.15352400   -0.93260400    1.78910300
 C                  2.50275700    2.17183000   -1.97908700
 C                  4.48130600    1.92611100   -0.41000300
 H                  2.23997700   -1.03521700    3.74129800
 H                  0.89370200   -0.29769300    2.85932000
 H                  1.55389100   -1.84827000    2.33044200
 H                  3.99025800   -1.94037400    1.39151500
 H                  4.91067300   -0.44930600    1.16351500
 H                  4.58016100   -1.04523300    2.79358900
 H                  3.52236500   -2.22319500   -2.48569400
 H                  4.02137100   -0.55189000   -2.21485100
 H                  4.29631500   -1.77263000   -0.96552800
 H                  1.48069100   -3.18569600   -1.36219900
 H                  2.17422700   -2.85325200    0.22679400
 H                  0.55966900   -2.24920500   -0.18139600
 H                  4.96906400    1.12915600   -0.98226800
 H                  4.86985000    2.88029400   -0.78786900
 H                  4.80340500    1.83354800    0.63251000
 H                  1.41091300    2.17522900   -2.07273600
 H                  2.86630100    3.15272400   -2.30978400
 H                  2.89242800    1.42677000   -2.68237500
 C                  0.35595000    0.66525500    0.28458800
 C                 -0.84753600    0.84220000    0.28427000

-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






