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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 | -67.8588796 | -68.0916264 | 0.2327468 | 0.0000000 | 68.0916264 | ||||||
| cm-1 | 232.3 | 333.3 | -101.0 | ||||||||
| eV | -1846.534 | 0.029 | -1846.505 | -1852.867 | 0.041 | -1852.826 | 6.333 | -0.013 | 6.321 | 0.000 | 1852.867 |