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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 | -622.2221427 | -622.5477913 | 0.3256486 | 0.0000000 | 622.5477913 | ||||||
| cm-1 | 67.5 | 171.8 | -104.3 | ||||||||
| eV | -16931.526 | 0.008 | -16931.517 | -16940.387 | 0.021 | -16940.366 | 8.861 | -0.013 | 8.848 | 0.000 | 16940.387 |