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Scheiner, A.C.; Schaefer, H.F.; Liu, B., The -X1A1 and -a3B2 states of o-benzyne: a theoretical characterization of equilibrium geometries, harmonic vibrational frequencies, and the singlet-triplet energy gap, J. Am. Chem. Soc., 1989, 111, 3118. [all data]

Frisch, M.J.; Scheiner, A.C.; Schaefer, H.F.; Binkley, J.S., J. Chem. Phys., 1985, 82, 4194-8. [all data]