Additionally, the XMS-CASPT2 S 0 structures consistently show larger saddling angles than those reported by DFT. Specifically, the XMS-CASPT2 average saddling angles in the unsubstituted corrole are 16.0 • for Ω and 37.5 • for χ, while DFT average values for Ω and χ range from 11.3-13.3 • and 24.7-29.4 • , respectively (Table ). This is consistent with the XMS-CASPT2 geometries reported previously by one of the authors for the same system using a smaller basis set yielding an average Ω of 18.5 • . Although the angles with XMS-CASPT2 are larger, if one considers the differences between the average values of Ω and χ between the bare and triphenyl corrole in the S 0 states, the change is smaller with XMS-CASPT2 than for DFT. In the triphenyl corrole, χ is 9.3 • larger than in the unsubstituted corrole while DFT values range from 13.2-15.4 • . The Ω angle also shows an increase of 6.0 • in XMS-CASPT2 compared to DFT values ranging from 5.9-7.0 • .