In Table , it can be seen that the nh1nh1 ′ THF system yields the largest dissociation energy across all levels of theory. The nh1 system shows the second-largest dissociation energy of the THF systems. There is a notable increase of over 4 kcal mol -1 in dissociation energy for both the nh1 and ring complexes with the addition of the D3BJ dispersion correction, resulting in the nh1 THF system holding the second largest