This is a program to query and extract all the species info, inside Woon-Herbst database.
In the folder xyz_files you will find all the .xyz of the molecules in the database. Properties were computed at the
RCCSD(T) level with basis sets as large as aug-cc-pVTZ, depending upon the size of the molecule.
All the information coming from this database must be referred to the proper Scientific paper: "Woon, D. E., & Herbst, E. 2009, The Astrophysical JournalSupplement Series, 185, 273".
This project has received funding within the European Union’s Horizon 2020 research and innovation programme from the Marie Sklodowska-Curie for the project ”Astro-Chemical Origins” (ACO), grant agreement No 811312.