Fig. 11

Comparison of FT-IR spectra with experiment and calculated values (DFT/B3LYP method with the 6-311G(d,p) and cc-pVTZ basis sets)
Comparison of FT-IR spectra with experiment and calculated values (DFT/B3LYP method with the 6-311G(d,p) and cc-pVTZ basis sets)