First, however, vertical absorption spectra were computed with the respective ROOM3/ CISD methods for the initial geometries sampled from the Wigner distribution. The individual stick spectra and the total broadened spectra are shown in Fig. . We note here that the "fine structure" present in these spectra should not be compared with the vibronic progression resulting from the quantum-mechanical calculation (like for the transitions to D 5 and D 11 of Ada-CN + in Fig. ), since nuclei are treated classically in this case.