Selenium Basis-Sets:


Se_976-311d51G_towler_1995

34 8
0 0 9 2.0 1.0
 2275090.0 0.000038 
 319959.0 0.0003344 
 64974.1 0.0021238 
 15718.0 0.011193 
 4347.15 0.047900 
 1367.7 0.157400 
 483.334 0.352332 
 187.066 0.423303 
 75.1333 0.153645 
0 1 7 8.0 1.0
 5241.62 -0.000373 0.0009764 
 1192.97 -0.0072305 0.0092853 
 354.263 -0.061887 0.056735 
 121.56 -0.145788 0.218068 
 46.765 0.246071 0.447931 
 19.7469 0.712463 0.395229 
 8.44148 0.239375 0.09678 
0 1 6 8.0 1.0
 103.375 0.0039064 -0.014826 
 36.4438 -0.054067 -0.071387 
 15.4097 -0.323251 0.116639 
 6.326 0.264172 0.970063 
 2.62943 0.954686 1.21262 
 1.04921 0.236846 0.328426 
0 3 5 10.0 1.0
 202.635 0.005270 
 59.7021 0.04036 
 21.5166 0.162038 
 8.3345 0.368724 
 3.15228 0.46438 
0 3 1 0.0 1.0
 1.09082 1.0 
0 1 3 6.0 1.0
 2.318094 -0.908900 -0.1759 
 0.945900 -0.595800 0.5555 
 0.409815 3.163300 2.8121 
0 1 1 0.0 1.0
 0.1642 1.0 1.0 
0 1 1 0.0 1.0
 0.0648 1.0 1.0 

Se_pob_TZVP_2012

34 15
0 0 8 2.0 1.0
 531071.66696 0.00024108973168
 79603.044117 0.00186964314410
 18115.844240 0.00972716165360
 5127.8923194 0.03960479303100
 1669.9130839 0.12948855136000
 600.57534527 0.30959437289000
 233.70021247 0.45115769216000
 92.672443932 0.24579189033000
0 0 4 2.0 1.0
 571.57513675 -0.02689570788100
 177.63686375 -0.12670989353000
 29.517767052 0.57699001719000
 12.824399795 0.56369075408000
0 0 2 2.0 1.0
 19.848235841 -0.25132415534000
 3.4744018486 0.72905416980000
0 0 1 2.0 1.0
 1.1988909800 1.00000000000000
0 0 1 0.0 1.0
 0.2102537200 1.00000000000000
0 0 1 0.0 1.0
 0.1000000000 1.00000000000000
0 2 6 6.0 1.0
 2815.3500566 0.00255690268540
 666.92558298 0.02087402690100
 214.34213188 0.09877209625000
 80.246687942 0.28471821221000
 32.251081288 0.45003584934000
 13.106432562 0.24416091055000
0 2 4 6.0 1.0
 53.366108516 -0.02155845627300
 8.1827777195 0.32662310638000
 3.6239945672 0.57740499319000
 1.6341591401 0.34301320826000
0 2 1 4.0 1.0
 0.9841832000 1.00000000000000
0 2 1 0.0 1.0
 0.4396626900 1.00000000000000
0 2 1 0.0 1.0
 0.1000000000 1.00000000000000
0 3 5 10.0 1.0
 151.82910279 0.00939702769880
 44.839992523 0.06408650399100
 16.328999510 0.21834238004000
 6.4305057612 0.40314789649000
 2.5048025169 0.41966491490000
0 3 1 0.0 1.0
 1.1031689800 1.00000000000000
0 3 1 0.0 1.0
 0.4307032000 1.00000000000000
0 3 1 0.0 1.0
 0.21535160000 1.00000000000000

M. F. Peintinger, D. Vilela Oliveira, and T. Bredow
"Consistent Gaussian Basis Sets of Triple-Zeta Valence with 
Polarization Quality for Solid-State Calculations",
Journal of Computational Chemistry 2012, DOI: 10.1002/jcc.23153

Se_m-pVDZ-PP_Heyd_2005

234 9
INPUT
24. 0 2 4 6 2 0
 30.046990 370.122888 0
 6.918688 10.456168 0
 45.773014 99.135059 0
 45.294642 198.292483 0
 20.739648 28.338747 0
 20.028601 56.749747 0
 50.941768 -18.526556 0
 49.594740 -28.334921 0
 16.323522 -0.696089 0
 14.465196 -1.167891 0
 3.775330 0.041443 0
 3.501953 0.235583 0
 11.950867 -0.766262 0
 17.810780 -2.102742 0
0 0 6 2. 1.
       2609.72040         0.182900000E-02
       391.522800         0.970600000E-02
       48.2893000         0.716060000E-01
       16.8019000        -0.383980000
       3.51490000         0.691926000
       1.58940000         0.491893000
0 0 6 2. 1.
       2609.72040        -0.694000000E-03
       391.522800        -0.386600000E-02
       48.2893000        -0.248390000E-01
       16.8019000         0.140207000
       3.51490000        -0.342280000
       1.58940000        -0.364598000
0 0 1 0. 1.
      0.383000000          1.00000000
0 0 1 0. 1.
      0.139900000          1.00000000
0 2 6 6. 1.
       100.019200         0.476100000E-02
       25.8909000        -0.848990000E-01
       6.20930000         0.428655000
       2.66130000         0.543060000
       1.09290000         0.149283000
      0.359700000         0.107100000E-02
0 2 6 4. 1.
       100.019200        -0.105800000E-02
       25.8909000         0.217090000E-01
       6.20930000        -0.126243000
       2.66130000        -0.193545000
       1.09290000         0.473730000E-01
      0.359700000         0.591806000
0 2 1 0. 1.
      0.113700000          1.00000000
0 3 6 10. 1.
       128.508000         0.110110000E-01
       41.5212000         0.778560000E-01
       15.5182000         0.232819000
       6.16082000         0.401788000
       2.41134000         0.408946000
      0.871936000         0.168093000
0 3 1 0. 1.
      0.365600000          1.00000000

For calculations with HF and hybrid functionals,
it is strongly suggested to use:

TOLINTEG
7 7 7 9 30


Heyd, J.; Peralta, J. E.; Scuseria, G. E.; Martin, R. L.
Energy Band Gaps and Lattice Parameters Evaluated with the
Heyd-Scuseria-Ernzerhof Screened Hybrid Functional.
J. Chem. Phys. 2005, 123, 174101

Recently used:

P. Pernot, B. Civalleri, D. Presti, A. Savin
Prediction uncertainty of density functional approximations for
properties of crystals with cubic symmetry
J. Phys. Chem. A 119 (2015) 5288-5304

Se_pob_DZVP_rev2

34 12
0 0 6 2 1
  106612.20027      0.0014274889113
  16007.604701      0.0109435251140
  3642.1699707      0.0543741715960
  1028.5912993      0.1901809294700
  335.30298888      0.3891302169600
  115.80129154      0.3062020708800
0 0 3 2 1
  222.93325020     -0.1119880800900
  26.726257934      0.6475212420700
  11.124501923      0.4424197665100
0 0 3 2 1
  19.888520061     -0.2285722776200
  3.3668473803      0.7359135995100
  1.5249277839      0.4433019957700
0 0 1 2 1
  0.5304965700      1.0000000000000
0 0 1 0 1
  0.2012996100      1.0000000000000
0 2 5 6 1
  1455.9068120      0.0088203597043
  343.75101831      0.0668758519670
  109.29554964      0.2664057808000
  39.707711022      0.5383492842200
  14.950185232      0.3630328199300
0 2 3 6 1
  8.0208962094      0.3415380702500
  3.2934649756      0.5725790658300
  1.4058602438      0.2554981322200
0 2 1 4 1
  0.5015097700      1.0000000000000
0 2 1 0 1
  0.1509689200      1.0000000000000
0 3 4 10 1
  94.494024044      0.0234901010980
  27.188185260      0.1374773576700
  9.5091567352      0.3664992912400
  3.4170516853      0.4875098988400
0 3 1 0 1
  1.0106184400      1.0000000000000
0 3 1 0 1
  0.1503429700      1.0000000000000

D. Vilela Oliveira, M. F. Peintinger, J. Laun, and T. Bredow
"BSSE-correction scheme for consistent gaussian basis sets of double- and triple-zeta valence with polarization quality for solid-state calculations",
Journal of Computational Chemistry 2019, 40, 2364–2376 DOI: 10.1002/jcc.26013

Se_pob_TZVP_rev2

34 15
0 0 8 2.0 1.0
  531071.66696      0.00024108973168
  79603.044117      0.00186964314410
  18115.844240      0.00972716165360
  5127.8923194      0.03960479303100
  1669.9130839      0.12948855136000
  600.57534527      0.30959437289000
  233.70021247      0.45115769216000
  92.672443932      0.24579189033000
0 0 4 2.0 1.0
  571.57513675     -0.02689570788100
  177.63686375     -0.12670989353000
  29.517767052      0.57699001719000
  12.824399795      0.56369075408000
0 0 2 2.0 1.0
  19.848235841     -0.25132415534000
  3.4744018486      0.72905416980000
0 0 1 2.0 1.0
  1.1988909800      1.00000000000000
0 0 1 0.0 1.0
  0.5102537200      1.00000000000000
0 0 1 0.0 1.0
  0.1500000000      1.00000000000000
0 2 6 6.0 1.0
  2815.3500566      0.00255690268540
  666.92558298      0.02087402690100
  214.34213188      0.09877209625000
  80.246687942      0.28471821221000
  32.251081288      0.45003584934000
  13.106432562      0.24416091055000
0 2 4 6.0 1.0
  53.366108516     -0.02155845627300
  8.1827777195      0.32662310638000
  3.6239945672      0.57740499319000
  1.6341591401      0.34301320826000
0 2 1 4.0 1.0
  1.0841832000      1.00000000000000
0 2 1 0.0 1.0
  0.4996626900      1.00000000000000
0 2 1 0.0 1.0
  0.1500000000      1.00000000000000
0 3 5 10.0 1.0
  151.82910279      0.00939702769880
  44.839992523      0.06408650399100
  16.328999510      0.21834238004000
  6.4305057612      0.40314789649000
  2.5048025169      0.41966491490000
0 3 1 0.0 1.0
  1.1031689800      1.00000000000000
0 3 1 0.0 1.0
  0.4307032000      1.00000000000000
0 3 1 0.0 1.0
  0.21535160000     1.00000000000000

D. Vilela Oliveira, M. F. Peintinger, J. Laun, and T. Bredow
"BSSE-correction scheme for consistent gaussian basis sets of double- and triple-zeta valence with polarization quality for solid-state calculations",
Journal of Computational Chemistry 2019, 40, 2364–2376 DOI: 10.1002/jcc.26013