Molecular nitrogen spectroscopic constants

In Table 9 we report the spectroscopic constants calculated for hydrogen fluoride and molecular nitrogen with the cc-pV/iZ sets. As can be seen, the properties of both these species are nearly converged for the quadruple zeta basis sets - differences between the results obtained with the quadruple and sextuple basis sets are a few tenths of a kcal mol in De, a few thousandths of an angstrom in re, and a few wavenumbers in ct>c- In fact, the errors in the Hartree-Fock calculations are rather small even with the triple zeta basis sets. 

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