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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 | -398.9788455 | -399.3603774 | 0.3815319 | 0.0000000 | 399.3603774 | ||||||
| cm-1 | 3062.5 | 3166.2 | -103.7 | ||||||||
| eV | -10856.767 | 0.380 | -10856.387 | -10867.149 | 0.393 | -10866.756 | 10.382 | -0.013 | 10.369 | 0.000 | 10867.149 |