Experimental absorption and MCD spectra in three energy ranges are shown alongside the theoretical ones in Figures and, respectively. The broadening factors of the stick spectra in the low-and mid-energy panels have been reduced to the values indicated in the figure captions to be comparable to experiment which reports very high resolution of the Qand B-bands. All theoretical spectra have been red-shifted by 0.35 eV (2818 cm -1 ) to align the first absorption peak with the corresponding peak of the major matrix site of the Q-band in the experimental absorption spectrum (Figure , upper left panel). The size of this shift is considered to be within what can be attributed to environmental effects, the deviation between computed vertical excitation energies and experimental band maxima in addition to the general overestimation of excitation energies within CC2. The shift also aligns the maxima of the C-and X-bands in the high-energy region fairly well with experiment, although the separations between the spectral features in the simulated spectrum are slightly larger. Nevertheless, the features are well reproduced by our calculations. The MCD in the N-band region is, however, far more pronounced in the simulated spectrum. A better fit could be brought about by increasing the damping factor, i.e., the broadening of the spectrum.