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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 | -21.0299035 | -21.3823766 | 0.3524731 | 0.0000000 | 21.3823766 | ||||||
| cm-1 | 3844.1 | 3742.9 | 101.2 | ||||||||
| eV | -572.253 | 0.477 | -571.776 | -581.844 | 0.464 | -581.380 | 9.591 | 0.013 | 9.604 | 0.000 | 581.844 |