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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 | -24.0800626 | -24.4720456 | 0.3919830 | 0.0000000 | 24.4720456 | ||||||
| cm-1 | 99.2 | 437.1 | -337.8 | ||||||||
| eV | -655.252 | 0.012 | -655.240 | -665.918 | 0.054 | -665.864 | 10.666 | -0.042 | 10.625 | 0.000 | 665.918 |