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The structures of ethylene glycol, aminoethanol, ethylenediamine, and their dimers with the for mation of hydrogen bonds of different types are optimized by density functional theory (DFT) using hybrid functional B3LYP in the basis of 6 31++G(d,p), 6 311++G(2d,2p) and aug CC pVTZ. Energies of interac tions, hydrogen bond parameters, and oscillation frequency are calculated, and NBO analysis is performed. The types of hydrogen bonds formed in dimers of 1,2 disubstituted ethanes X-CH 2 -CH 2 -Y (X, Y = OH, NH 2 ) are established. Keywords: ethylene glycol, aminoethanol, ethylenediamine, intro and intermolecular hydrogen bonds, quan tum chemical methods of calculation.

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