251635.fig.002a
(a)
251635.fig.002b
(b)
Figure 2: Simulated gas-phase Raman (a) and IR (b) spectra of 2,2′-biselenophene antigauche and syngauche conformations. Lorentz line shapes with half-width of 10 cm−1 are used. PBE0/6-31+pdd′ results.