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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 | -918.8214327 | -919.2357806 | 0.4143479 | 0.0000000 | 919.2357806 | ||||||
| cm-1 | 280.5 | 255.9 | 24.5 | ||||||||
| eV | -25002.403 | 0.035 | -25002.368 | -25013.678 | 0.032 | -25013.646 | 11.275 | 0.003 | 11.278 | 0.000 | 25013.678 |