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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 | -497.0253966 | -497.4353757 | 0.4099791 | 0.0000000 | 497.4353757 | ||||||
| cm-1 | 7263.9 | 8029.7 | -765.8 | ||||||||
| eV | -13524.749 | 0.901 | -13523.848 | -13535.905 | 0.996 | -13534.909 | 11.156 | -0.095 | 11.061 | 0.000 | 13535.905 |