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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 | -343.4723410 | -343.6803024 | 0.2079614 | 0.0000000 | 343.6803024 | ||||||
| cm-1 | 7486.0 | 6330.7 | 1155.3 | ||||||||
| eV | -9346.358 | 0.928 | -9345.430 | -9352.017 | 0.785 | -9351.232 | 5.659 | 0.143 | 5.802 | 0.000 | 9352.017 |