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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy |
Cation | Neutral | Difference | Vertical | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -289.2291839 | -289.5148638 | 0.2856799 | 0.0000000 | 289.5148638 | ||||||
cm-1 | 1059.1 | 1000.6 | 58.6 | ||||||||
eV | -7870.326 | 0.131 | -7870.195 | -7878.100 | 0.124 | -7877.976 | 7.774 | 0.007 | 7.781 | 0.000 | 7878.100 |