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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 | -396.2232879 | -396.4706161 | 0.2473282 | 0.0000000 | 396.4706161 | ||||||
| cm-1 | 114.0 | 75.0 | 38.9 | ||||||||
| eV | -10781.784 | 0.014 | -10781.770 | -10788.514 | 0.009 | -10788.505 | 6.730 | 0.005 | 6.735 | 0.000 | 10788.514 |