MoleculeDocs and their underlying TaskDocuments contain all of the information about a molecule that is stored in MPcules. To aid in accessibility and reusability, we further process task-and molecule-level data to generate property documents. Typically, property documents are uniquely defined by the combination of MPculeID and solvent. In some cases, a property can be calculated or determined using multiple different methods; for instance, atomic partial spins can be defined using Mulliken population analysis 49 or the natural atomic populations determined by the natural bonding orbital (NBO) program. For such properties, a property document is uniquely defined by MPculeID, solvent, and method.