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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 | -11.9654326 | -12.3095388 | 0.3441062 | 0.0000000 | 12.3095388 | ||||||
| cm-1 | 2318.9 | 2938.8 | -619.9 | ||||||||
| eV | -325.596 | 0.288 | -325.308 | -334.960 | 0.364 | -334.595 | 9.364 | -0.077 | 9.287 | 0.000 | 334.960 |