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    Basis Set Extrapolation of Vibrational Frequencies by Frank Jensen (1287894)

    Published 2023
    “…For regular molecules, the three extrapolation procedures yield essentially identical results, but for loosely bound complexes, the frequencies derived from extrapolated Hessians yield unpredictable behavior. None of the basis set extrapolations, however, provide any significant improvement over the results upon which the extrapolation is based.…”
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