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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 O (Oxygen atom)

2009091E

MP4=FULL/6-31G(2df,p)

Units Cation Neutral Difference
Hartrees -74.4540176 -74.9407139 0.4866964
eV -2025.997 -2039.241 13.244