The tuned range-separated XC functionals have thus been suggested to describe the excitedstates properties with inclusion of CT character. Here, the conventional hybrid XC functional B3LYP, and three optimally tuned range-separated XC functionals CAM-B3LYP*, ω*B97X-D, and LC-BLYP* have been adopted. The parameter ω in these rangeseparated functionals are tuned by minimizing the function of where ε HOMO is the energy of the highest occupied molecular orbital (HOMO) and IP is the ionization energy.