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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 | -728.9730125 | -729.1599247 | 0.1869122 | 0.0000000 | 729.1599247 | ||||||
| cm-1 | 397.8 | 374.3 | 23.5 | ||||||||
| eV | -19836.364 | 0.049 | -19836.315 | -19841.451 | 0.046 | -19841.404 | 5.086 | 0.003 | 5.089 | 0.000 | 19841.451 |