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I am looking for a database, in which the experimental ionization energies (and e.g. heat of formation) of atoms and diatomic molecules are listed as files. If it comes with a Python package, that would even better.

I found the Pitt Quantum Repository, but there seem to be only theoretical values.

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NIST Atomic Spectra Database has the atom part. Not sure about molecules. https://physics.nist.gov/PhysRefData/ASD/ionEnergy.html

Pallas
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