Harmonic vibrational frequencies: An evaluation of Hartree Fock, Møller Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors (1996) - UCMercedChem225Spring2019/LiteratureReviews GitHub Wiki
Description
This paper talks about the harmonic vibrational frequencies at different levels of theory. The authors tested 122 molecules at those levels of theory with many basis sets. They provided some recommended scaling factors. B3-PW91/6-31G(d) gives the best results, but the widely used B3-LYP/6- 31G(d) procedure is almost as successful.