We see that for the adsorbed, embedded, and buried state, as the nitrogen atom becomes more negative, there is a corresponding increase in the bond length. For the standing state, the bond length increases as the charge on the negative nitrogen atom decreases. Considering the charge on the more positive (electrophilic) nitrogen atom, we find for all states that as the charge on the nitrogen atom becomes more negative, the bond length increases. Because the nitrogen starts neutrally charged, the additional negative charge suggests the transfer of electrons onto the nitrogen molecule. Thus, the bond length increases with charge gained, as expected. We additionally note that the states only observed in the presence of a PD (embedded and buried) have both higher magnitudes of the charge transferred onto the single nitrogen atoms and the change in bond lengths. As a result, these states may be more reactive and determine the initial stages of nitride formation.