Table 2. Stationary Points Relative to the Reactants Asymptote in the TZYGL⁶⁰ PES for Li + HCl → LiCl + H^a.

	Li + HCl → LiCl + H
	R(LiCl)	R(HCl)	∠LiClH	energy
reactants: Li + HCl		1.277		0.0
well1: Li···H–Cl	4.800	1.275	0.0	–0.027
well2: Li···Cl–H	2.767	1.281	92.5	–0.018
saddle point	2.270	1.418	58.2	0.130
well3: Li–Cl···H	2.093	2.129	52.3	–0.362
products: LiCl + H	2.032			–0.248

^aDistances in Å, energies in eV, and angles in deg. ∠LiClH = 180° corresponds to the linear Li–Cl–H arrangement.