Boron Basis-Sets:
5 4 0 0 6 2.0 1.0 2.082E+03 1.850E-03 3.123E+02 1.413E-02 7.089E+01 6.927E-02 1.985E+01 2.324E-01 6.292E+00 4.702E-01 2.129E+00 3.603E-01 0 1 2 3.0 1.0 2.282E+00 -3.687E-01 2.312E-01 4.652E-01 1.199E+00 8.668E-01 0 1 1 0.0 1.0 1.243E-01 1.000E+00 1.000E+00 0 3 1 0.0 1.0 0.8 1.0 Comments: outer sp exponent optimized for BN 3sp = 0.197 BP 3sp = 0.140 in: R.Orlando, R.Dovesi, C.Roetti, "Ab-initio Hartree-Fock calculations for periodic compounds - application to semiconductors", Journal Of Physics-Condensed Matter 2 (38), 7769-7789 (1990). recently used in: Maslyuk V.V., Islam M.M., Bredow T., "Electronic properties of compounds of the Li2O-B2O3 system", Phys. Rev. B 72, Art. No. 125101 (2005). Islam MM, Maslyuk VV, Bredow T, Minot C, "Structural and electronic properties of Li2B4O7", J. Phys. Chem. B 109, 13597-13604 (2005). Islam MM, Bredow T, Minot C, "Comparison of trigonal B2O3 structures with high and low space-group symmetry", Chem. Phys. Lett. 418, 565-568 (2006).
5 8 0 0 6 2.0 1.0 8564.86606870 0.00022837198155 1284.15162630 0.00176825764470 292.278716040 0.00914070805160 82.7754691760 0.03634263898900 27.0179392690 0.11063458441000 9.81496196600 0.23367344321000 0 0 2 2.0 1.0 3.93185590590 0.41818777978000 1.65955997120 0.22325473798000 0 0 1 0.0 1.0 0.53318702000 1.00000000000000 0 0 1 0.0 1.0 0.26659351000 1.00000000000000 0 2 4 1.0 1.0 22.4538758030 0.00502655751790 5.10450583300 0.03280173896500 1.49860813440 0.13151230768000 0.50927831315 0.33197167769000 0 2 1 0.0 1.0 0.53857716000 1.00000000000000 0 2 1 0.0 1.0 0.26928858000 1.00000000000000 0 3 1 0.0 1.0 0.75005942000 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