Computer modelling of small molecules of organic azides on the basis of HN$_3$, CH$_3$N$_3$, NCN$_3$, C$_2$H$_5$N$_3$, NCCH$_2$N$_3$

The theoretical calculations, made by using density functional theory, and the analysis of fundamental properties of small molecules of organic azides HN$_3$, CH$_3$N$_3$, NCN$_3$, C$_2$H$_5$N$_3$, NCCH$_2$N$_3$ (molecular structure, electron and vibrational spectra, elements of chemical bond, thermodynamic functions, space distribution of electron density) have been given in the article. The applicability of B3LYP/TZVP method for prognostication of various structures is proved by experimental confirmation of theoretical data.