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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 | -212.2751638 | -212.6139367 | 0.3387729 | 0.0000000 | 212.6139367 | ||||||
| cm-1 | 2362.2 | 1752.4 | 609.7 | ||||||||
| eV | -5776.301 | 0.293 | -5776.008 | -5785.519 | 0.217 | -5785.302 | 9.218 | 0.076 | 9.294 | 0.000 | 5785.519 |