Spectra computed for solutes 1 and 2 with all DMSO molecules within 3.0 Å promoted to the QM region and the remaining DMSO molecules emloying the DMS solvent model are presented in Figure and Figure , respectively. For both solute 1 and 2 clear improvements are observed when compared to the spectrum obtained for a minimal QM region (Figure ). All major peaks are reproduced both in terms of position and peak height with the only minor disagreement observed around the peak at 5.6 eV for the neutral solute 1. Compared to the reference spectrum this is considered to be negligible which is confirmed with deviations computed using eq 13 that are 0.07 and 0.05 for solutes 1 and 2, respectively which are clear improvements from the small QM regions which were 0.27 and 0.24, respectively.