nh1nh1 ′ water nh1nh1 ′ THF nh1 water nh1 THF Table Atomic distances in Angstroms. Relevant indexing can be seen in Figure . Atomic distances for the nh1 and nh1nh1 ′ systems with both water and THF are depicted in Table , and visualized in Figure . In the nh1 systems, the N 1 O 1 distances were 2.97 Å and 2.87 Å for water and THF respectively, well within the A B range associated with moderate hydrogen bonding. Further, the H 1 O 1 distances were 1.97 Å in the water system and 1.90 Å in the THF system. It is interesting to note that these distances were consistently shorter for the THF system. In the nh1nh1 ′ systems, the N Reflecting on the dissociation energies presented in Table and Table , it may be seen for both the water and THF systems that nh1 and nh1nh1 ′ systems hold the highest two dissociation energies, a logical byproduct of the proposed hydrogen bonding. It is also of note that under the B3LYP/aug-cc-pVTZ level of theory, we find the computed dissociation energy of the water dimer, a system well known for its hydrogen bonding, to be 4.82 kcal mol -1 . With both THF and water as the solvent, the nh1 and nh1nh1 ′ positions hold a higher dissociation energy than the water dimer at a comparable level of theory. Interaction energies for the nh1 and nh1nh1 ′ systems, which can also be associated with the strength of a hydrogen bond, 40 were similarly found to be over 10 kcal mol -1 with the D3BJ dispersion correction (Table ).