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Energy of the frontier orbitals (in eV), and 
and 
(or 
and 
) (in eV) at the CAM-B3LYP/cc-pVTZ level
of theory for phthalocyanines (left) and subphthalocyanines (right).
In the case of SubPc, the orbital with a1 symmetry
is H – 3 instead of H – 1. Further details are given
in Tables S17–S19.
