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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 | -75.7974406 | -76.2609097 | 0.4634691 | 0.0000000 | 76.2609097 | ||||||
| cm-1 | 3979.1 | 4490.7 | -511.6 | ||||||||
| eV | -2062.553 | 0.493 | -2062.060 | -2075.165 | 0.557 | -2074.608 | 12.612 | -0.063 | 12.548 | 0.000 | 2075.165 |