Bromine Basis-Sets:
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).
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:
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
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
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