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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 | -68.9982101 | -69.3253289 | 0.3271188 | 0.0000000 | 69.3253289 | ||||||
| cm-1 | 472.5 | 455.6 | 16.9 | ||||||||
| eV | -1877.537 | 0.059 | -1877.478 | -1886.438 | 0.056 | -1886.382 | 8.901 | 0.002 | 8.903 | 0.000 | 1886.438 |