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the claim
Calculated harmonic infrared frequencies depend systematically on the size of the basis set
the verdict
SUPPORTED
the evidence backs this
Recorded sources
2 sources for · 0 against
Is it true that calculated harmonic infrared frequencies depend systematically on the size of the basis set?
Yes. Calculated harmonic infrared frequencies depend systematically on the size of the basis set, converging toward the complete basis set limit as larger and more flexible basis sets are employed.
Verdict: SUPPORTED · 2 sources for, 0 against · Last checked
The analysis
The claim states that calculated harmonic infrared frequencies depend systematically on the basis set size. Papers 0 and 2 explicitly discuss how calculated vibrational frequencies vary systematically with basis set size and converge toward the complete basis set limit. Therefore, the evidence supports the claim.
Evidence for · 2
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Jensen, F. (2003). Polarization consistent basis sets. IV. The basis set convergence of equilibrium geometries, harmonic vibrational frequencies, and intensities. doi.org. https://doi.org/10.1063/1.1535905
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More for · 1
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Buczek, A., Kupka, T., & Broda, M. (2011). Estimation of formamide harmonic and anharmonic modes in the Kohn-Sham limit using the polarization consistent basis sets. doi.org. https://doi.org/10.1007/s00894-010-0944-9
Receipt History
first checked04 Aug 2026
judged → SUPPORTED · 8804 Aug 2026
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