As previously outlined, accurately determining the proportion of non-innocent character and the oxidation states at the metal centers necessitates the use of advanced multireference techniques, which go beyond conventional single-reference DFT methods. In this section, we commence with an analysis of the electronic structure of metallocorroles using multireference RASSCF calculations. We will then examine the XANES spectra and pre-edge peak energies derived from these multireference approaches. The active or- ). Although the corrole ligand act as innocent within this complex, electron transfer between Fe and Ph is evident, as described by Eq. 1. Thus, Fe(IV), with a possible composition of 84% Fe(IV) and 16% Fe(III). This exemplifies the capability of multiconfigurational methods to quantify the % of the oxidation state of the metal which provides a challenge to traditional DFT calculations. This also highlights the importance of using multireference wavefunction methods in metallocorroles and also, justifies the need for these methods to compute the XANES spectra. contribution is obtained by excitation of 1s β electron to 3d yz and then the transfer of α electron present in 3d yz to 3d z 2 -π L (from GS-1). The fourth transition with 9% contribution involves the transfer of 1s β electron to 3d yz and subsequent transfer of α electron from 3d yz to 3d z 2 +π L (from GS-2). These three transitions involve higher than singly excited configurations which are challenging to obtain from TDDFT and are not observed.