The Gaussian-2 method with proper dissociation, improved accuracy, and less cost

The Gaussian-2 method (G2) is modified by deleting the empirical high-level correction and instead using empirical coefficients to extrapolate to full configuration interaction and an infinite basis set. The resulting method, called multicoefficient Gaussian-2 (MCG2) is less expensive than G2 but a factor of 1.7 more accurate for molecules composed of H and first-row atoms. (C) 1999 American Institute of Physics. [S0021-9606(99)32124-3].