In this proposal we want to address the issue of the identification of the different muonium adducts that are possible in Alq3 without any crystallographic constraints, and compare this to the solid-state data. This will enable us to properly identify the various adducts at play in the solid state, and how they differ in conformation (due to crystallographic constraints) from the idealized DFT calculations. Specifically, we will have a direct measure of the isotropic HFCs in the liquid state, from which we will be able to optimize our DFT calculations and identify without doubt what adducts are present. We then will use this as input parameters into our solid state calculations, and hope to be able to produce a validated standard method for performing DFT calculations of muonium states in molecular solids, which would be of considerable benefit to the community in future studies.