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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 He (Helium atom)

2009091E

HSEh1PBE/6-311G**

Units Cation Neutral Difference
Hartrees -1.9956207 -2.8944036 0.8987830
eV -54.304 -78.761 24.457