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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 | -622.2631296 | -622.6002565 | 0.3371269 | 0.0000000 | 622.6002565 | ||||||
| cm-1 | 74.4 | 170.8 | -96.4 | ||||||||
| eV | -16932.641 | 0.009 | -16932.632 | -16941.815 | 0.021 | -16941.793 | 9.174 | -0.012 | 9.162 | 0.000 | 16941.815 |