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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 | -421.3228830 | -421.7541100 | 0.4312270 | 0.0000000 | 421.7541100 | ||||||
| cm-1 | 606.8 | 582.2 | 24.6 | ||||||||
| eV | -11464.779 | 0.075 | -11464.703 | -11476.513 | 0.072 | -11476.441 | 11.734 | 0.003 | 11.737 | 0.000 | 11476.513 |