Iodine Basis-Sets:


I_HAYWLC-31G_prencipe_1990

253 2
HAYWLC
0 1  3  7.  1.
   1.520    0.5606  -0.0300
   1.252   -1.0108  -0.0719
   0.295    0.9297   0.6278
0 1 1 0. 1.
   0.083    1.0       1.0

M. Prencipe, Laurea Thesis (pages 87-89) (1990).


I_LC_doll_1998

253 8
INPUT
7. 0 2 2 2 1 0
 3.511200     83.113863  0
 1.755600      5.201876  0
 2.968800     82.811109  0
 1.484400      3.379682  0
 1.906600     10.304277  0
 0.953300      7.588032  0
 2.307500    -21.477936  0
0  0  1  2.  1
 2.122765  1.
0  0  1  0.  1
 1.770481  1.
0  0  1  0.  1
 0.327  1.
0  0  1  0.  1
 0.122  1.
0  2  1  5.  1
 2.432887  1.
0  2  1  0.  1
 2.137249  1.
0  2  1  0.  1
 0.322  1.
0  2  1  0.  1
 0.101  1.

used in: 
K. Doll, H. Stoll, Phys. Rev. B 57, 4327 (1998)
good for I-


I_POB_DZVP_2018

253 9
INPUT
25. 0 3 4 4 4 0
  40.033376  49.989649 0
  17.300576 281.006556 0
   8.851720  61.416739 0
  15.720141  67.416239 0
  15.208222 134.807696 0
   8.294186  14.566548 0
   7.753949  28.968422 0
  13.817751  35.538756 0
  13.587805  53.339759 0
   6.947630   9.716466 0
   6.960099  14.977500 0
  18.522950 -20.176618 0
  18.251035 -26.088077 0
   7.557901  -0.220434 0
   7.597404  -0.221646 0
0 0 6 2 1.0
  445.904891760      0.002003729039
  23.3368424120     -0.149893973240
  19.5834461040      0.364364749130
  8.51120891860     -0.755381381990
  2.19961618610      0.828163593560
  1.06689704540      0.421610481100
0 0 2 2 1.0
  11.7205475720     -0.016160234511
  1.76259864490      0.352715251930
0 0 1 0 1.0
  0.22063941000      1.000000000000
0 2 4 6 1.0
  20.4990272540      0.077159335656
  10.5587545760     -0.383703727800
  1.50158954850      0.835541747190
  0.64597173095      0.167872594880
0 2 1 5 1.0
  2.97381309000      1.000000000000
0 2 1 0 1.0
  0.21032497000      1.000000000000
0 3 5 10 1.0
  51.2353549200      0.004034513035
  15.6162394820     -0.005076810888
  4.52660021390      0.291510653560
  2.05298087660      0.511457836050
  0.87640281623      0.312320252970
0 3 1 0 1.0
  2.30751375000      1.000000000000
0 3 1 0 1.0
  0.75587879000      1.000000000000


J. Laun, D. V. Oliveira, T. Bredow J. Comput. Chem.  (2018), 
" Consistent gaussian basis sets of double- and triple-zeta valence with polarization quality of the fifth period for solid-state calculations ", DOI: 10.1002/jcc.25195


I_POB_TZVP_2018

253 12
INPUT
25. 0 3 4 4 4 0
  40.033376  49.989649 0
  17.300576 281.006556 0
   8.851720  61.416739 0
  15.720141  67.416239 0
  15.208222 134.807696 0
   8.294186  14.566548 0
   7.753949  28.968422 0
  13.817751  35.538756 0
  13.587805  53.339759 0
   6.947630   9.716466 0
   6.960099  14.977500 0
  18.522950 -20.176618 0
  18.251035 -26.088077 0
   7.557901  -0.220434 0
   7.597404  -0.221646 0
0 0 5 2 1.0
  5899.5791533      0.000241882693
  898.54238765      0.001547404174
  200.37237912      0.004283668446
  31.418053840     -0.039417936275
  15.645987838      0.960866919920
0 0 2 2 1.0
  11.815741857      0.759615240910
  6.4614458287      0.424955018350
0 0 1 0 1.0
  1.7933192200      1.000000000000
0 0 1 0 1.0
  0.2228922900      1.000000000000
0 2 3 6 1.0
  197.30030547      0.000739512269
  20.061411349      0.066168450008
  9.7631460485     -0.285546623480
0 2 4 5 1.0
  12.984316904     -0.049096186164
  3.6199503008      0.389144324820
  2.0232273090      0.656108172620
  1.0367490559      0.318035516470
0 2 1 0 1.0
  0.4757919900      1.000000000000
0 2 1 0 1.0
  0.1500000000      1.000000000000
0 3 6 10 1.0
  119.12671745      0.000825960396
  33.404240134      0.006837767577
  17.805918203     -0.010308158997
  4.8990510353      0.226704576580
  2.4516753106      0.441801139370
  1.1820693432      0.367754722250
0 3 1 0 1.0
  2.5367766300      1.000000000000
0 3 1 0 1.0
  0.6886907200      1.000000000000
0 3 1 0 1.0
  0.2068443800      1.000000000000


J. Laun, D. V. Oliveira, T. Bredow J. Comput. Chem.  (2018), 
" Consistent gaussian basis sets of double- and triple-zeta valence with polarization quality of the fifth period for solid-state calculations ", DOI: 10.1002/jcc.25195
See also:

Iodine