Bond functions for AB initio calculations on polyatomic molecules hydrocarbons

Transferable gaussian CH and CC bond functions and a C lone-pair function were optimized and compared to conventional polarization functions. The exponents (α) and position (γ,β) of these functions are α = 0.9, γ = 0.27 for CH bonds; α = 1.2, γ = 0.50 for CC bonds; α = 0.3, β = 0.47 for C lone-pair.