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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 | -834.1768506 | -834.5387823 | 0.3619317 | 0.0000000 | 834.5387823 | ||||||
| cm-1 | 1276.5 | 1456.0 | -179.5 | ||||||||
| eV | -22699.106 | 0.158 | -22698.948 | -22708.955 | 0.181 | -22708.775 | 9.849 | -0.022 | 9.826 | 0.000 | 22708.955 |