New ab Initio Potential Energy Surfaces for the Renner-Teller Coupled 𝟏𝟏𝐴′ and 1𝟏𝐴′′ States of CH2 : Figure 1

(a)

(b)

Figure 1: (a) Contour plot for the PES of CH₂ as a function of and (bohr) with ∠HCH fixed at the equilibrium value 102.45°. (b) Contour plot for the PES of CH₂ as a function of and (bohr) with ∠HCH fixed at the equilibrium value 144.36°. Energies (kcal/mol) are relative to the C()+H₂ asymptote.