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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 | -339.9071459 | -340.2549398 | 0.3477938 | 0.0000000 | 340.2549398 | ||||||
| cm-1 | 430.2 | 399.7 | 30.6 | ||||||||
| eV | -9249.344 | 0.053 | -9249.290 | -9258.808 | 0.050 | -9258.758 | 9.464 | 0.004 | 9.468 | 0.000 | 9258.808 |