In summary, we have implemented DC-DFT along with its analytic gradient in the Q-Chem program and have evaluated this technique for describing the electronic and geometrical structure of model systems containing polaron defects. In Al-doped silica, where EPR measurements suggest that the dopant-induced hole is localized on a single oxygen atom adjacent to the defect, GGA functionals and hybrids such as B3LYP and PBE0 delocalize the hole over more than one oxygen atom. DC-DFT versions of these same functionals afford a localized hole and structural distortion that is consistent with experiment, i.e., a single elongated Al-O bond. This suggests that DC-DFT might be an alternative to hybrid functionals in these systems.