Thermodynamic data for astrochemistry

Collection of thermodynamic properties of 78 chemical species. The properties include partition functions, rotational and vibrational temperatures, electronic energy levels, the electronic potential energies at 0K., and several minimum energy geometries. The main purpose of this data is to compute the Gibbs free energies of the species, to be used in chemical reaction rates. Therefore, these are provided in the output directory (up to 3000K). A easily exportable JSON file with all thermodynamic properties is also available in the output directory. The data has partially been collected from several databases and individual papers. Missing data has been computed by ourselves. All input data is homogenised to a single format, which is not the case when collected from different sources. The reference folder contains extensive information on the sources where we got the data from. More detailed explanations can be found in the several README files. All processing has been performed using my repository of python scripts (https://bitbucket.org/JelsB/thermochemistry). We encourage people to extend the scripts with more features and extend the data with more chemical species. This work strives towards consistency, since we (and others) found inconsistencies between the thermodynamic databases NIST/JANAF tables and NASA's Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion with Updates from Active Thermochemical Tables.This data is produced and used by Boulangier et al. 2019b (subm.