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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 | -113.0650177 | -113.4416016 | 0.3765839 | 0.0000000 | 113.4416016 | ||||||
| cm-1 | 5521.0 | 5963.1 | -442.1 | ||||||||
| eV | -3076.656 | 0.685 | -3075.971 | -3086.903 | 0.739 | -3086.164 | 10.247 | -0.055 | 10.193 | 0.000 | 3086.903 |