Bromine Basis-Sets:


Br_HAYWLC-31_prencipe_1990

235 2
HAYWLC
0 1 3 8. 1.
 1.547 -0.3827 -0.3476
 1.164 0.0798 0.3994
 0.320 0.9091 0.5937 
0 1 1 0. 1.
 0.092 1.0 1.0

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


Br_LC_doll_1998

235 8
INPUT
7. 0 2 2 2 1 0
 5.021800 61.513721 0
 2.510900 9.021493 0
 4.281400 53.875864 0
 2.140700 4.629402 0
 2.880000 20.849677 0
 1.440000 2.965444 0
 2.720700 -8.161493 0
0 0 1 2. 1
 4.721881 1.
0 0 1 0. 1
 2.257555 1.
0 0 1 0. 1
 0.400 1.
0 0 1 0. 1
 0.145 1.
0 2 1 5. 1
 1.896942 1.
0 2 1 0. 1
 0.910899 1.
0 2 1 0. 1
 0.324 1.
0 2 1 0. 1
 0.107 1.

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


Br_pob_TZVP_2012

35 15
0 0 8 2.0 1.0
 565073.25256 0.0002366031469
 84701.723179 0.0018348332508
 19276.271900 0.0095465849860
 5456.4284576 0.0388771421530
 1776.9503500 0.1271831423100
 639.19398276 0.3043766219100
 248.78823961 0.4449094049700
 98.678305494 0.2438164305800
0 0 4 2.0 1.0
 606.07824568 -0.0265271587090
 188.45598484 -0.1248458480900
 31.497144506 0.5646868355900
 13.736008320 0.5555526856400
0 0 2 2.0 1.0
 21.203212766 -0.2494092049300
 3.7616420178 0.7121311974300
0 0 1 2.0 1.0
 1.4940008700 1.0000000000000
0 0 1 0.0 1.0
 0.5908622600 1.0000000000000
0 0 1 0.0 1.0
 0.1454311300 1.0000000000000
0 2 6 6.0 1.0
 3019.6955723 0.0024971049798
 715.35481126 0.0204192675960
 229.98328751 0.0968971483090
 86.167844615 0.2805390125200
 34.667870802 0.4460639047300
 14.113870307 0.2441007392300
0 2 4 6.0 1.0
 57.085653082 -0.0218559507100
 8.8193845840 0.3270707532000
 3.9340302872 0.5785522952000
 1.7998830384 0.3357098769800
0 2 1 5.0 1.0
 1.5874541800 1.0000000000000
0 2 1 0.0 1.0
 0.4896365520 1.0000000000000
0 2 1 0.0 1.0
 0.150040570 1.0000000000000
0 3 5 10.0 1.0
 168.85370257 0.0089663981988
 49.977949919 0.0620620593160
 18.274913338 0.2147473238400
 7.2455694631 0.4033533674600
 2.8562315025 0.4220881308000
0 3 1 0.0 1.0
 1.0111406400 1.0000000000000
0 3 1 0.0 1.0
 0.4296930700 1.0000000000000
0 3 1 0.0 1.0
 0.2143006900 1.0000000000000

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

Br_pob_DZVP_rev2

35 12
0 0 6 2 1
  113286.38776      0.0014283037779
  17009.626303      0.0109504174960
  3870.1842567      0.0544210066040
  1093.0357227      0.1904790769500
  356.39721797      0.3902464273700
  123.12539643      0.3081443251400
0 0 3 2 1
  236.74084007     -0.1122806567100
  28.468661070      0.6477596231200
  11.883443722      0.4423557598600
0 0 3 2 1
  21.269633312     -0.2264257632300
  3.6129226841      0.7382371200800
  1.6626648969      0.4268386869400
0 0 1 2 1
  0.5091510600      1.0000000000000 
0 0 1 0 1
  0.2448482800      1.0000000000000 
0 2 5 6 1
  1560.2801881      0.0087166669072
  368.47859205      0.0662436374200
  117.22978849      0.2649561038500
  42.648909248      0.5383916058700
  16.087225096      0.3657938788800
0 2 3 6 1
  8.6352810058      0.3424878736600
  3.5613665502      0.5750067821300
  1.5292626609      0.2433039417200
0 2 1 5 1
  0.5560447400      1.0000000000000 
0 2 1 0 1
  0.1564046700      1.0000000000000 
0 3 4 10 1
  104.85518642      0.0226501475810
  30.281143688      0.1345548323000
  10.651394267      0.3647445453700
  3.8699456233      0.4904458705600
0 3 1 0 1
  1.2561204000      1.0000000000000 
0 3 1 0 1
  0.2125147300      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

Br_pob_TZVP_rev2

35 15
0 0 8 2.0 1.0
  565073.25256      0.0002366031469
  84701.723179      0.0018348332508
  19276.271900      0.0095465849860
  5456.4284576      0.0388771421530
  1776.9503500      0.1271831423100
  639.19398276      0.3043766219100
  248.78823961      0.4449094049700
  98.678305494      0.2438164305800
0 0 4 2.0 1.0
  606.07824568     -0.0265271587090
  188.45598484     -0.1248458480900
  31.497144506      0.5646868355900
  13.736008320      0.5555526856400
0 0 2 2.0 1.0
  21.203212766     -0.2494092049300
  3.7616420178      0.7121311974300
0 0 1 2.0 1.0
  1.4940008700      1.0000000000000
0 0 1 0.0 1.0
  0.5908622600      1.0000000000000
0 0 1 0.0 1.0
  0.2454311300      1.0000000000000 
0 2 6 6.0 1.0
  3019.6955723      0.0024971049798
  715.35481126      0.0204192675960
  229.98328751      0.0968971483090
  86.167844615      0.2805390125200
  34.667870802      0.4460639047300
  14.113870307      0.2441007392300
0 2 4 6.0 1.0
  57.085653082     -0.0218559507100
  8.8193845840      0.3270707532000
  3.9340302872      0.5785522952000
  1.7998830384      0.3357098769800
0 2 1 5.0 1.0
  1.5874541800      1.0000000000000
0 2 1 0.0 1.0
  0.4896365520      1.0000000000000 
0 2 1 0.0 1.0
  0.150040570       1.0000000000000 
0 3 5 10.0 1.0
  168.85370257      0.0089663981988
  49.977949919      0.0620620593160
  18.274913338      0.2147473238400
  7.2455694631      0.4033533674600
  2.8562315025      0.4220881308000
0 3 1 0.0 1.0
  1.3111406400      1.0000000000000
0 3 1 0.0 1.0
  0.5296930700      1.0000000000000
0 3 1 0.0 1.0
  0.2543006900      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