10.26165/JUELICH-DATA/4JCZ9O Vereecken, Luc0000-0001-7845-684X(Forschungszentrum Jülich GmbH) Jülich DATA 2021 This data set provides the quantum chemical data characterizing reactions in the OH-initiated oxidation of dimethylsulfide (DMS). It focuses mainly on the chemistry of hydroperoxymethylthioformate (HPMTF). Geometries and vibrational wavenumbers are obtained at the M06-2X-D3/aug-cc-pV(T+d)Z level of theory, with energies refined at the CCSD(T)/aug-cc-pV(Q+z)Z level of theory. Vereecken, Luc(Forschungszentrum Jülich GmbH)