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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 | -701.4114247 | -701.7403519 | 0.3289271 | 0.0000000 | 701.7403519 | ||||||
| cm-1 | 296.0 | 230.2 | 65.9 | ||||||||
| eV | -19086.376 | 0.037 | -19086.339 | -19095.326 | 0.029 | -19095.298 | 8.951 | 0.008 | 8.959 | 0.000 | 19095.326 |