The LVC potentials are based on B3LYP*/TZVP; the hybrid B3LYP* exchangecorrelation functional was selected for its known accuracy for excited-state energetics of Fe(II) complexes. Two-electron integrals were approximated by the resolution of identity (RI-J) and chain-of-spheres (COSX) methods. For TD-DFT caclulations, we used the Tamm-Dancoff approximation (TDA). The singlet and triplet excited states were calculated using singlet restricted Kohn-Sham (RKS) referenced TD-DFT, while for the quintet states the reference was calculated by quintet unrestricted DFT. All DFT/TD-DFT calculations we carried out using the ORCA5.0 software.