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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 | -389.0211462 | -389.2825815 | 0.2614352 | 0.0000000 | 389.2825815 | ||||||
| cm-1 | 483.9 | 411.5 | 72.4 | ||||||||
| eV | -10585.804 | 0.060 | -10585.744 | -10592.918 | 0.051 | -10592.867 | 7.114 | 0.009 | 7.123 | 0.000 | 10592.918 |