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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 | -138.7525563 | -139.2116134 | 0.4590571 | 0.0000000 | 139.2116134 | ||||||
| cm-1 | 10605.3 | 8322.1 | 2283.2 | ||||||||
| eV | -3775.649 | 1.315 | -3774.334 | -3788.141 | 1.032 | -3787.109 | 12.492 | 0.283 | 12.775 | 0.000 | 3788.141 |