To this end, we used the Dalton program together with the PE library to run a PE-TD-DFT calculation (incl. EEF 31 effects) at the CAM-B3LYP 22 /pcseg-2 30 level of theory using the same embedding potential parameters as described in the previous section. The quantum-classical borders in PRSB + in C1C2 and HBDI -in GFP are treated as follows: all charges within 0.5 Å of an atom in the quantum region are redistributed to the three nearest sites while all other parameters are removed. 11