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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 | -588.8582855 | -589.1987525 | 0.3404670 | 0.0000000 | 589.1987525 | ||||||
| cm-1 | 1991.6 | 1786.0 | 205.6 | ||||||||
| eV | -16023.649 | 0.247 | -16023.402 | -16032.913 | 0.221 | -16032.692 | 9.265 | 0.025 | 9.290 | 0.000 | 16032.913 |