Structure and binding energies of halogenated hydroxymethoxy radical-water hydrogen-bonded complexes: HOC(X)(Y)O·nH2O (n = 0, 1, 2 and X, Y = H/F/Cl)

► Modeling of hydrogen bonding between hydroxymethoxy radical and water molecules. ► Effect of substituent on the hydrogen bonding parameters. ► Effect of various theoretical methods on the binding energies of complexes. ► Assignments of vibrational frequencies corresponding to different normal modes.