To illustrate the results, we examined the Zink Tetrabenzoporphyrin (ZnTBP) complex in a planar geometry of D 4h symmetry, sketched in Figure . A DFT-optimized geometry was obtained from Ref. 50 and reoptimized at the MP2/cc-pVTZ level of theory. The MCD spectra were computed with both resonant and damped response using a development version of TURBOMOLE 7.6. The molecule was treated in its largest Abelian point group, D 2h , and the aug-cc-pVDZ basis set 52,53 was applied as orbital and auxiliary basis for H, C, and N. The energy-consistent pseudo potential (ECP) for Zn from Figgen et al. was used in combination with the aug-cc-pVDZ-PP basis set for both the orbital and auxiliary basis.