Present work deals with the Structural, Vibrational and Electronic properties of the molecular structure of 2, 3 Dichloropridine. The equilibrium geometry, harmonic vibrational frequencies and HOMO-LUMO gap have been calculated by the density functional theory (DFT), employing B3LYP/LANL2DZ as the basis set. A detailed interpretation of the Calculated infrared spectra of 2, 3 Dichloropridine is reported. No experimental spectrum is available so calculated spectra can provide a suitable path for experimental researchers.
