Problems of the calculation of intermolecular interactions on complexes with strong delocalized π‐bonds within the PCILO framework

Abstract Strong delocalized π‐bonds must be approximated by localized π‐bonds within the PCILO framework. From this approximation some difficulties result in the calculation of intermolecular interactions. If only one subsystem involves delocalized π‐bonds the difficulties seem to be not very important. But if both subsystems involve such bonds, the PCILO results are not reasonable in some cases.