Exercise 6 Perform a geometry optimization and vibrational frequency calculation on benzoic acid at the BPV86/3-21G level of theory 3. Below is the Figure of the experimental IR spectrum of benzoic acid. Assign the nature of the calculated vibrations of the important bands (high intensity bands), then correlate those bands with the experimental spectrum. Use an IR frequency Table to verify. 3 Optimizations followed by frequency calculations are usually long. If you work with a workstation or a PC (a Exercise 6 Perform a geometry optimization and vibrational frequency calculation on benzoic acid at the BPV86/3-21G level of theory 3. Below is the Figure of the experimental IR spectrum of benzoic acid. Assign the nature of the calculated vibrations of the important bands (high intensity bands), then correlate those bands with the experimental spectrum. Use an IR frequency Table to verify. 3 Optimizations followed by frequency calculations are usually long. If you work with a workstation or a PC (a