Model spin Hamiltonian parameters were calculated using Orca5.0.4 at the optimized geometries of [1 •-][X + ] (X = Li, Na, K) in the doublet electronic state. The hybrid B3LYP functional and modified augmented version of the Def2-TZVP basis set (ma-Def2-TZVP) were employed. g-tensor values for all electronic spins, as well as isotropic Fermi contact (AISO), anisotropic dipolar contribution (ADIP), and the orbital hyperfine (AORB) terms for all nitrogen, sodium, and hydrogen nuclei were calculated. A polarizable continuum model (PCM) for solvation was included, using THF as the solvent.