| Eproducts (Hartree) | Ereactants (Hartree) | ETS (Hartree) | Ea (Kcal/mol) |
TS1 (Pathway 2a) | −1572.02164 | −1572.02164 | −1572.02158 | 0.03765 |
TS2 (Pathway 2b) | −1892.770 | −1892.772 | −1892.725 | 29.4925 |