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Computed absorption spectrum (black) of oNBA at ADC(2)/cc-pVDZ level of theory, based on 1000 initial conditions sampled from a Wigner distribution. Individual state contributions are given as shaded areas. The gray box denotes the excitation window (4.5–4.7 eV), primarily exciting the S4 state (ππ* Lb). The dark-green line shows the experimental absorption spectrum.24
