Excess spin density delocalization and spin contamination must be minimized to improve the DFT results. The former can be tackled using the CBS-DFT approach where the spin density on the atoms of the spin center can be constrained to prevent spurious delocalization. To reduce spin contamination, we have adopted the SF-TDDFT method which uses a multistate approach to represent the open-shell singlet state accurately. These calculations have been performed with B3LYP, WB97X-D3, and M06-2X functionals.