The optimized geometries, vibrational force fields and infrared intensities of 2-fluoro-5-bromopyridine molecule were calculated by using density functional theory B3LYP method with 6-311++G(2df,2pd) basis set. The theoretical force field was scaled using the scaled quantum mechanical force field. The root-mean-squares deviation was found to be 24 cm~(-1) for calculated frequencies. The assignment of the vibrational fundamentals for 2-fluoro-5-bromopyridine molecule was also performed according to the potential energy distributions.

Key words: PYRIDINE P, BROMINE COMPOUNDS, FLUORINE COMPOUNDS, NORMAL COORDINATE ANALYSIS, CONFIGURATION