Figure : Cofacial and slipped dimer stackings of two boron dipyrromethene (BODIPY) dyes with phenyl and mesityl meso-substituents. As seen in Tab. 6, for both substituents, the cofacial stacking is more stable than the slipped stacking according to the employed methods, where the energy difference is significantly higher for the mesityl substituents, e.g., 160.9 kJ • mol -1 compared to 12.5 kJ • mol -1 for phenyl substituents with NORMALPNO DLPNO-CCSD(T 0 ). This tendency is in accordance with the findings in Ref.