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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 | -79.3037464 | -79.7291017 | 0.4253553 | 0.0000000 | 79.7291017 | ||||||
| cm-1 | 14102.2 | 16582.4 | -2480.3 | ||||||||
| eV | -2157.965 | 1.748 | -2156.216 | -2169.539 | 2.056 | -2167.483 | 11.575 | -0.308 | 11.267 | 0.000 | 2169.539 |