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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 | -55.4656027 | -55.8718980 | 0.4062953 | 0.0000000 | 55.8718980 | ||||||
| cm-1 | 3596.9 | 4023.2 | -426.3 | ||||||||
| eV | -1509.296 | 0.446 | -1508.850 | -1520.352 | 0.499 | -1519.853 | 11.056 | -0.053 | 11.003 | 0.000 | 1520.352 |