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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 | -15.4182747 | -15.8469434 | 0.4286687 | 0.0000000 | 15.8469434 | ||||||
| cm-1 | 1921.2 | 2767.1 | -846.0 | ||||||||
| eV | -419.553 | 0.238 | -419.314 | -431.217 | 0.343 | -430.874 | 11.665 | -0.105 | 11.560 | 0.000 | 431.217 |