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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 | -128.9245949 | -129.2769595 | 0.3523646 | 0.0000000 | 129.2769595 | ||||||
| cm-1 | 2520.4 | 2644.4 | -124.0 | ||||||||
| eV | -3508.217 | 0.312 | -3507.904 | -3517.805 | 0.328 | -3517.477 | 9.588 | -0.015 | 9.573 | 0.000 | 3517.805 |