While the dipole moment of the MOI is quite high in gas phase theoretical computations, it is significantly lower than the solvent phase experimental result from Müllen et al. This shows that the solvent plays a significant role in increasing this dipole moment, and thus must be considered for a fuller understanding of the MOI. In this paper, the importance of solvent molecule position in relation to the MOI is explored, through the strategic placement of water and THF about the MOI. It is seen that placing a solvent molecule at the nh1nh1 ′ position results in the highest possible dipole moment with both water and THF as the solvent. These systems also boast the highest dissociation energy, which can be attributed to the hydrogen bonding occurring at these positions. Further, it is of note that with the nh1 and nh1nh1 ′ complexes, THF participates in stronger hydrogen bonding than water, thus inducing a higher dipole moment than water for each system respectively. It is also of note that while the cn2cn2 ′ THF system did not boast the highest dipole moment, it is still consistently predicted to yield an increase in dipole of over 2 debye relative to the MOI in gas phase. This complex also displays the lowest HOMO-LUMO energy gap. Finally, it is noteworthy that despite the large margin of error in the experimental dipole moment, the only system to show a dipole moment within this experimental range was the nh1nh1 ′ water system.