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FMO energy levels of dipole 4 and dipolarophiles 5a and 5k calculated at the B3LYP/6-31G* level. Continuous and dotted lines indicate the favored (ΔE = 5.407 eV for 5a and 6.673 eV for 5k) and the disfavored (ΔE = 8.178 eV for 5a and 7.955 eV for 5k) molecular orbital interactions, respectively.
