Analysis of the interactions between difluoroacetylene and one or two hydrogen fluoride molecules based on calculated spin-spin coupling constants

► Theoretical study of FCCF:(HF)n complexes, with n = 1 and 2. ► Two types of complexes are formed: with FH⋯π and FH⋯FC hydrogen bonds. ► Intramolecular and intermolecular coupling constants are studied.