Spectra computed for solutes 1 and 2 with all CHCl 3 molecules within 3.0 Å promoted to the QM region are presented in Figure and Figure , respectively. The major peak at 4.1 eV for solute 1 is reproduced with better accuracy than for the minimal QM region (Figure ) with especially the peak height showing an improvement. However, the peaks at 6.1 eV and 6.4 eV show little to no improvement. For the anionic solute 2, however, the high-energy peak that was observed at 5.5 eV in Figure is absent and the spectrum is all over improved also at the major peak around 3.1 eV. When increasing the size of the QM region the computed spectra reproduce the reference spectra more accurately than for the small QM region. For solute 1 a modest improvement from 0.45 to 0.35 is observed, but solute 2 improves significantly from 0.45 to 0.15.