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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 | -91.0862729 | -91.6847520 | 0.5984792 | -91.0861290 | 0.5986230 | ||||||
| cm-1 | 910.7 | 821.7 | 89.0 | ||||||||
| eV | -2478.584 | 0.113 | -2478.471 | -2494.869 | 0.102 | -2494.767 | 16.285 | 0.011 | 16.296 | -2478.580 | 16.289 |