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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 | -958.8010402 | -959.1023256 | 0.3012853 | 0.0000000 | 959.1023256 | ||||||
cm-1 | 3742.2 | 3342.5 | 399.8 | ||||||||
eV | -26090.303 | 0.464 | -26089.839 | -26098.502 | 0.414 | -26098.087 | 8.198 | 0.050 | 8.248 | 0.000 | 26098.502 |