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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 | -113.8859454 | -114.2759757 | 0.3900303 | 0.0000000 | 114.2759757 | ||||||
| cm-1 | 5331.2 | 5900.8 | -569.6 | ||||||||
| eV | -3098.994 | 0.661 | -3098.333 | -3109.607 | 0.732 | -3108.876 | 10.613 | -0.071 | 10.543 | 0.000 | 3109.607 |