Table 3: Transition state energies.

Transition state Total energy (au) Corrected total energy (au) A1-A2 −1527.4161 −1527.0204 A1–A3 −1527.4108 −1527.0154 A1–A5 −1527.4334 −1527.0373 A2–A4 −1527.4352 −1527.0430 A5-A6 −1527.4364 −1527.0401