Abstract: A core challenge in infrared spectroscopy education lies in students’ comprehension of molecular vibrational modes and their correlation with characteristic absorption peaks. This study introduces a visualization approach utilizing Gaussian’s “Freq” command, which effectively integrates theoretical concepts, vibrational animations, and spectral data to enhance instructional clarity. The methodology empowers students to independently construct molecular systems and achieve active learning through dynamic observation, thereby significantly improving their autonomous ability to analyze infrared spectra.

Key words: Infrared spectroscopy, Theoretical calculation, Freq, Molecular vibration and characteristic absorption, Visual teaching