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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 | -237.9390692 | -238.2451311 | 0.3060619 | 0.0000000 | 238.2451311 | ||||||
| cm-1 | 4481.0 | 4066.1 | 415.0 | ||||||||
| eV | -6474.651 | 0.556 | -6474.096 | -6482.980 | 0.504 | -6482.476 | 8.328 | 0.051 | 8.380 | 0.000 | 6482.980 |