1. A form of processed data could be a two-dimensional representation or figure corresponding to the highest occupied molecular orbital or the HOMO of a molecule of interest. 2. The corresponding primary data would be a file containing the full wavefunction calculated for the molecule using a specific model for solution of the Schrödinger equation and presented as loss-free data in the form of a formatted checkpoint or rawbinaryarray file resulting from e.g. a Gaussian calculation. These forms would allow not only an alternative three-dimensional representation of the HOMO to be generated, but indeed that of any other desired orbital or other property computable from the wavefunction.