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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 | -660.0102617 | -660.2942085 | 0.2839469 | 0.0000000 | 660.2942085 | ||||||
| cm-1 | 254.2 | 212.1 | 42.1 | ||||||||
| eV | -17959.793 | 0.032 | -17959.761 | -17967.519 | 0.026 | -17967.493 | 7.727 | 0.005 | 7.732 | 0.000 | 17967.519 |