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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 | -212.2496944 | -212.5814306 | 0.3317361 | 0.0000000 | 212.5814306 | ||||||
| cm-1 | 2208.6 | 1715.3 | 493.3 | ||||||||
| eV | -5775.608 | 0.274 | -5775.334 | -5784.635 | 0.213 | -5784.422 | 9.027 | 0.061 | 9.088 | 0.000 | 5784.635 |