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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 H (Hydrogen atom)

2009091E

B1B95/6-311+G(3df,2p)

Units Cation Neutral Difference
Hartrees 0.0000000 -0.4980742 0.4980742
eV 0.000 -13.553 13.553