Infrared and Raman Spectra of C₄H₄Se and C₄D₄Se Isotopomers: A DFT-PT2 Anharmonic Study

Figure 5

B3LYP/6-311G** anharmonic IR (bottom) and Raman (top) spectra of C₄H₄Se in the 500–1500 cm⁻¹ wavenumber range. Lorentz line shapes with half-width of 10 cm⁻¹ were used.