Computed static XA spectra are presented in FIG. along side the experimental spectrum from Hudson et al. . The computed spectra were blue-shifted by 20.1, 18.7 and 18.1 eV for DFT-ROCIS/B3LYP, TD-DFT/B3LYP, and TD-DFT/CAM-B3LYP, respectively, to align to the |F1s -1 6a 1 1g peak of the experimental spectrum. We notice that these constant shifts of the computed XA spectra align all other pre-edge peaks with the experimental data within ±2 eV.