All molecule data was taken from the NIST Chemistry WebBook https://webbook.nist.gov/chemistry/
All geometries are taken from the available 3D SDF files in that database https://webbook.nist.gov/chemistry/3d-structs/
All multiplicity and charge values are taken from the set of molecules used by Tranter, Love, Mintert, Coveney 2018
All active and occupied spaces are taken from the same paper by dividing the number of qubits by 2. This is due to the way OpenFermion handles active spaces.