For the present work, we have implemented Grimme's original parameterization and we will refer to it as B3LYP/CIS. In attempting to use this method for corelevel spectroscopy, however, it became clear that the shifts in Eq. ( ) are not appropriate beyond the second row of the periodic table (i.e., beyond Ne). As such, we decided to revisit the parameterization of Eq. (3a). In the time since the original formulation of DFT/CIS, range-separated hybrid functionals have proven to be some of the most effective XC functionals for TD-DFT, 10 hence our new parameterization is based on a Coulomb-attenuated counterpart of B3LYP known as CAM-B3LYP. We refer to this new parameterization as CAM-B3LYP/CIS, and we have developed it for use with a standard Gaussian basis set, def2-TZVPD. For CAM-B3LYP/CIS, we modify Eq. (3a) to be