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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 | -794.9802498 | -795.3115132 | 0.3312634 | 0.0000000 | 795.3115132 | ||||||
| cm-1 | 392.9 | 341.6 | 51.2 | ||||||||
| eV | -21632.513 | 0.049 | -21632.464 | -21641.527 | 0.042 | -21641.485 | 9.014 | 0.006 | 9.020 | 0.000 | 21641.527 |