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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 | -92.8300889 | -93.3224537 | 0.4923648 | 0.0000000 | 93.3224537 | ||||||
| cm-1 | 3062.0 | 3456.1 | -394.1 | ||||||||
| eV | -2526.035 | 0.380 | -2525.656 | -2539.433 | 0.429 | -2539.005 | 13.398 | -0.049 | 13.349 | 0.000 | 2539.433 |