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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 | -298.0020309 | -298.2849676 | 0.2829367 | 0.0000000 | 298.2849676 | ||||||
cm-1 | 424.1 | 389.3 | 34.8 | ||||||||
eV | -8109.048 | 0.053 | -8108.995 | -8116.747 | 0.048 | -8116.698 | 7.699 | 0.004 | 7.703 | 0.000 | 8116.747 |