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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 | -388.7492043 | -389.0251340 | 0.2759296 | 0.0000000 | 389.0251340 | ||||||
| cm-1 | 444.0 | 386.5 | 57.6 | ||||||||
| eV | -10578.404 | 0.055 | -10578.349 | -10585.912 | 0.048 | -10585.864 | 7.508 | 0.007 | 7.516 | 0.000 | 10585.912 |