The ZnTBP molecule was chosen as an illustrative example due to the availability of an experimental MCD spectrum reaching energies as high as 8 eV (65 000 cm -1 ), covering what is referred to as the Q-(15 800-18 000 cm -1 ), B-(23 500-29 000 cm -1 ), N-, L-, and Xband (28 000-65 000 cm -1 ) regions. The experimental measurements were carried out in an Argon matrix. It is noted that in the experiment, several nonequivalent sites in the Argon matrix together with crystal field (CF) splitting result in absorption and MCD spectra with a rich structure. This is not reproduced by the calculations carried out in gas phase. The Q-and B-band regions also reveal vibrational overtones in the experimental measurements. The simulated absorption and MCD spectra in the full energy range are depicted in Figure , where the broadened stick spectra cover the Q-, B-, N-, and L-bands, while the N-, L-, C-, and X-bands are covered by the damped results. An overlap between the resonant and damped spectra ensures a complete description.