Using the same B3LYP functional as selected in previous works, we performed both VPT2 calculations and CNEO-DFT harmonic analysis. The predicted frequencies of the Type IIa hydrogen-bonded O-H stretch are 3069 cm -1 and 3021 cm -1 for VPT2 and CNEO-DFT, respectively. These predictions align with the original experimental difference spectrum assignment and scaled DFT harmonic analysis by Adamowicz and co-workers. We note that our current study and the original study by Adamowicz did not include dispersion corrections whereas the AS-SCIVR study used D3 corrections. One might expect that dispersion corrections are needed as hydrogen bonds are not real chemical bonds.