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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 | -198.7890880 | -199.3657367 | 0.5766487 | 0.0000000 | 199.3657367 | ||||||
| cm-1 | 537.7 | 442.9 | 94.8 | ||||||||
| eV | -5409.326 | 0.067 | -5409.260 | -5425.018 | 0.055 | -5424.963 | 15.691 | 0.012 | 15.703 | 0.000 | 5425.018 |