TD-DFT(TDA) calculations are also reported for models of the hydrated electron, e -(aq). These calculations use structures obtained from quantum mechanics/ molecules mechanics (QM/MM) trajectory data, originally from Ref. 138. Following established protocols, 139 these e -(aq) models consist of a DFT region extending to a radius of 7.5 Å and containing 68-76 QM water molecules, depending on the particular snapshot. In addition, an average of 6,140 additional water molecules are included as classical point charges, representing a radius of 50 Å around the QM region. Geometries and point charges for these models can be found in Ref. 132.