“…Curtius and K. Heidenreich, J. Prakt. Chem., [2] 52, 478 (1895). (6) The parameters of the coulomb and resonance integrals used in calculation are shown in Scheme I. Energies of molecular orbitals of 1 are as follows: occupied, 1.599, 1.623, 1.729, 2.155, 2.155, 2.717, 2.734, 3,080, 3.184; vacant, +0.369, -0.765, -1.305, -2.526, -2.526, -3.174, -3.174.…”