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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 | -154.0440230 | -154.5021834 | 0.4581604 | 0.0000000 | 154.5021834 | ||||||
| cm-1 | 765.6 | 553.6 | 212.0 | ||||||||
| eV | -4191.751 | 0.095 | -4191.656 | -4204.218 | 0.069 | -4204.150 | 12.467 | 0.026 | 12.493 | 0.000 | 4204.218 |