The relative energies of conformers of 1,2-ethanediol, 1,3-propanediol, and 1,4-butanediol are split into a sum of five different terms including the intramolecular OH⋯O interaction. This scheme allows to estimate the energy of the O–H⋯O intramolecular hydrogen bond of the tGG′g and gGG′g conformers of 1,3-propanediol, the g′GG′Gt and g′GG′Gg conformers of 1,4-butanediol, and the energy of the non-bonded O–H⋯O interaction in the g′Gt, g′Gg and g′Gg′ conformers of 1,2-ethanediol. This scheme provides pure hydrogen bond energies without assuming the geometry and/or electronic features to be constant between the conformation having a IHB and a reference conformation. The fitted energies show a perfect linear correlation with the corresponding r(H⋯O) −1 values. QTAIM atomic electron population and energies of the donor hydrogen calculated along the H–O–C–C internal rotation are found to be linearly correlated. These linear correlations display small changes at the BCP formation in 1,3-propanediol.