In this article, we have examined the effect of substitution on the formation of neutral XHSe center dot center dot center dot O/N (X = -H, -F, -CH3, -CF3, -Cl, -OH, -OCH3, -NH2, -NHCH3, -CN) noncovalent bonds with the oxygen atom from H2O molecule and the nitrogen atom from NH3 being the electron donor atoms, respectively. In addition to this, analysis has also been performed on XMeSe center dot center dot center dot O/N complexes to study the effect of the role of hydrogen bonding with the hydrogen atoms of the methyl group on Se center dot center dot center dot O/N interactions. Binding energy calculations were performed to determine the strength of these contacts. The obtained results establish the fact that the presence of a methyl group influences the strength of the observed Se center dot center dot center dot O/N interactions. Also in some cases, the O-H center dot center dot center dot Se interaction was observed to be more preferable over the Se center dot center dot center dot O interaction. The major contribution for stabilization of such Se center dot center dot center dot O/N interactions is from an interplay among the electrostatics and the exchange energy. To obtain deeper insights and understanding of such Se center dot center dot center dot O/N contacts, a topological analysis, using the QTAIM approach were also performed. This analysis showed that although the presence of a Me group modifies the Se center dot center dot center dot O/N interaction, it does not necessitate the formation of hydrogen bonds. To obtain insights into the orbital contributions, a natural bond orbital (NBO) analysis were performed which depicts that the strength of such interactions were derived via charge transfer from the oxygen/nitrogen lone pair to the sigma* orbital of the Se-X bond.