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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 | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -199.6463527 | -199.9202319 | 0.2738793 | 0.0000000 | 199.9202319 | ||||||
| cm-1 | 810.4 | 704.4 | 106.0 | ||||||||
| eV | -5432.654 | 0.100 | -5432.553 | -5440.106 | 0.087 | -5440.019 | 7.453 | 0.013 | 7.466 | 0.000 | 5440.106 |