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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 | -177.2881595 | -177.6584664 | 0.3703069 | 0.0000000 | 177.6584664 | ||||||
| cm-1 | 9115.0 | 9280.8 | -165.8 | ||||||||
| eV | -4824.256 | 1.130 | -4823.126 | -4834.333 | 1.151 | -4833.182 | 10.077 | -0.021 | 10.056 | 0.000 | 4834.333 |