Abstract
The solid phase FT-IR and FT-Raman spectra of Tyramine hydrochloride had been taken from literature in the regions (4000–450) cm
−1 and (4000–100) cm
−1 respectively. The spectra were interpreted with the aid of normal coordinate analysis following full structure optimization and force field calculations based on density functional theory (DFT) using standard B3LYP/6-311G(d,p) method and basis set combination and was scaled using scale factor yielding fairly good agreement between observed and calculated frequencies. Based on the present scaled quantum mechanical (SQM) force field, a reliable description of the fundamentals was provided and the assignments have been proposed with the aid of normal coordinate analysis. Comparison of the calculated and experimental frequencies provides important information about the ability of the computational method to describe the vibrational modes.