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Structures, hydrogen bonding, and binding energies of H₄SeA (A = O, S, Se) dimers and their cation radicals have been studied using DFT-B3LYP, MP2, and CCSD methods with 6-31++G(d,p), cc-pVTZ, and aug-cc-pVTZ basis sets. The binding energy (BE) order of the most stable neutral and cationic dimers have been found to be (H₂Se···HOH) > (H₂Se···HSH) > (H₂Se···HSeH), and (H₂Se···SeH₂)⁺ > (H₂Se···SH₂)⁺ > (HSe···HOH₂)⁺, respectively, by B3LYP/6-31++G(d,p) and MP2/aug-cc-pVTZ methods. Higher electronegativity of the heteroatom has been found to result in more stability of the neutral dimer but less of the cationic dimer. Among neutral dimers, structure with more electronegative heteroatom acting as proton donor has been found to be more stable. However, the hemibonded structure has been found to be more stable for the dimer cation radical unless the ionization potentials of the involved …