For comparison, the ground state singlet and triplet structures were also optimized with the hybrid DFT functionals M06, PBE0-D3, B3LYP-D3, and TPSSh-D3 as well as pure functionals M06-L, PBE-D3, BLYP-D3, and PBE-D3. For both corroles, the DFT and XMS-CASPT2 computed S 0 structure is saddled while a planar geometry is obtained when optimizing the T 0 state. The XMS-CASPT2 structure for the S 1 state of the unsubstituted corrole is also planar.