  We identify the shortcomings of existing ab initio quantum chemistry
calculations for the hyperfine couplings in the recently characterized
azafullerene, C59N. Standard gaussian basis sets in the context of
all--electron calculations are insufficient to resolve the spin density near
the cores of the atoms. Using the Projector Augmented Wave method implemented
on top of a standard pseudopotential plane--wave density--functional framework,
we compute significantly more accurate values for the Fermi contact
interaction.
