Density functional theory frequency calculations for 2-chloro-5-nitrobenzyl alcohol has been evaluated by FTIR spectra and FT-Raman spectra.It was used in the preparation of macrobicyclic triphosphazides and tri-λ5-phosphazenes. Density functional theory frequency calculations for 2-chloro-5-nitrobenzyl alcohol has been evaluated by FTIR spectra and FT-Raman spectra. It was used in the preparation of macrobicyclic triphosphazides and tri-λ5-phosphazenes.