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Pople, J.A.; Schlegel, H.B.; Krishna, R.; DeFrees, D.J.; Binkley, J.S.; Frisch, M.J.; Whiteside, R.A.; Hout, R.F.; Hehre, W.J., Int. J. Quantum Chem., Quantum Chem. Symp., 1981, 15, 269. [all data]