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return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calculated Ionization Energy for for K (Potassium atom)

2009091E

PBEPBE/6-31G(2df,p)

Units Cation Neutral Difference
Hartrees -599.4937902 -599.6573346 0.1635444
eV -16313.056 -16317.506 4.450