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A.2.d Vibrational scale factors
Click on a table entry to change the scale factor for that method and basis set. The new value will be stored on your machine as a cookie. Values previously stored in a cookie are shown in italics.
the glossary in section I.C. Predefined means the basis set used is determined by the method.
Some of the above values were taken from
A.P. Scott, L. Radom, Harmonic Vibrational Frequencies: An Evaluation of Hartree-Fock, Moller-Plesset, Quadratic Configuration Interaction, Density Functional Theory and Semiempirical Scale Factors, J. Phys. Chem. 100, 16502, 1996
In this table many scale factors were assumed to be the same for different basis sets and similar methods.
Are we missing any? Please email us at mailto:cccbdb@