Homolytic Bond Dissociation Energies

Homolytic bond dissociation energies or just bond dissociation energies (BDE) is a measure of a particular bond strength. For example, the BDE for the C-C bond in H₃C-CH₃ --> CH₃• + CH₃• can be calculated using the following method:

Using WebMO/Gaussian to calculate the Hf(H₃C-CH₃), returns the following:

The energy is reported in units of Hartree, -79.2287548119 Hartree

Using WebMO/Gaussian to calculate the Hf(CH₃•), returns the following:

The energy is reported in units of Hartree, -39.5589916118 Hartree