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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 | -2150.1382496 | -2150.5430586 | 0.4048090 | 0.0000000 | 2150.5430586 | ||||||
| cm-1 | 405.9 | 454.1 | -48.2 | ||||||||
| eV | -58508.237 | 0.050 | -58508.187 | -58519.253 | 0.056 | -58519.196 | 11.015 | -0.006 | 11.009 | 0.000 | 58519.253 |