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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 | -0.6083206 | -1.1683622 | 0.5600415 | 0.0000000 | 1.1683622 | ||||||
| cm-1 | 1015.4 | 2121.3 | -1106.0 | ||||||||
| eV | -16.553 | 0.126 | -16.427 | -31.793 | 0.263 | -31.530 | 15.240 | -0.137 | 15.102 | 0.000 | 31.793 |