Table 1. Classical (ΔE) and Adiabatic (ΔH) Energies at the M06-2X/aug-cc-pVQZ//M06-2X/cc-pVTZ Level of the Stationary Points of the Reactions R-H5, R-H10, R-H11, and R-H14 Defined with Respect to the Energy of the Reactants.

energy [kcal mol–1]	R-H5	R-H10	R-H11	R-H14
ΔERWa	–4.17	–7.86	–3.21	–4.17
ΔHRWa	–3.11	–5.66	–2.41	–3.11
ΔE‡b	–3.12	–1.22	–2.64	–2.02
ΔH‡b	–2.83	–1.15	–2.79	–2.12
ΔEPWc	–42.92	–34.13	–33.51	–33.61
ΔHPWc	–41.52	–33.19	–32.37	–32.25
ΔERXNd	–37.49	–27.34	–27.34	–25.75
ΔHRXNd	–37.61	–28.01	–28.01	–26.35

^aRW: reactant well.

^b‡: saddle point.

^cPW: product well.

^dRXN: products.