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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 Ne+ (Neon atom cation)

2009091E

wB97X-D/6-311G**

Units Cation Neutral Difference
Hartrees -128.1359071 -128.9264290 0.7905219
eV -3486.755 -3508.267 21.511