•The IR and Raman spectra of studied compounds were recorded.•The IR and Raman wavenumbers were calculated from the optimized geometry of molecule.•IR, Raman and DFT methods confirm the existence of an intramolecular HBs.•The vibrational characteristics of OH compounds were analyzed. Molecular structures of quercitin and quercitin sulfonic acid have been determined by DFT quantum chemical calculations. FT-IR and FT-Raman spectra have been measured in the solid state and discussed in terms of B3LYP/6-311G(2d,2p) approach. The role of the hydrogen bonds in stabilization of their structures has been analyzed. The IR spectra were measured in the temperature range 5–300K and the observed effects were used in the discussion of the hydrogen bond behavior.