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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 | -1044.7575604 | -1045.0234631 | 0.2659028 | 0.0000000 | 1045.0234631 | ||||||
| cm-1 | 889.3 | 807.4 | 81.9 | ||||||||
| eV | -28429.299 | 0.110 | -28429.189 | -28436.535 | 0.100 | -28436.434 | 7.236 | 0.010 | 7.246 | 0.000 | 28436.535 |