Infrared and Raman Spectra of and Isotopomers: A DFT-PT2 Anharmonic Study
Figure 4
Anharmonic vibrational constants for the C–H stretching mode no. 1 with the vibrational modes (, ) of C4H4Se and C4D4Se. B3LYP/6-311G** results. For the mode numbering see Tables 2 and 3.
