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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 | -0.5831511 | -1.1477934 | 0.5646423 | 0.0000000 | 1.1477934 | ||||||
| cm-1 | 963.6 | 2046.7 | -1083.0 | ||||||||
| eV | -15.868 | 0.119 | -15.749 | -31.233 | 0.254 | -30.979 | 15.365 | -0.134 | 15.230 | 0.000 | 31.233 |