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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

PBE1PBE/6-311G**

Units Cation Neutral Difference
Hartrees -128.0582664 -128.8431543 0.7848879
eV -3484.643 -3506.001 21.358