Characterising exoplanets atmospheres is a rapidly growing research area due to the ability of space-based telescopes to detect molecules and atoms. With around 16,000 molecules thought to be potential biosignatures (gases produced by life that accumulate in the atmosphere), the search for these biosignatures gases has become one of the primary reasons for studying the atmospheres of extra solar system bodies. In order to deliver accurate identifications of these gases, the observations need to be compared against high quality spectral data, but this data is only available for a small number of molecules. We report progress towards generating and comparing the spectra of potential biosignatures using computational quantum chemistry methodologies.