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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 | -25.5356986 | -25.8256765 | 0.2899780 | 0.0000000 | 25.8256765 | ||||||
| cm-1 | 3699.2 | 3124.3 | 574.9 | ||||||||
| eV | -694.862 | 0.459 | -694.403 | -702.752 | 0.387 | -702.365 | 7.891 | 0.071 | 7.962 | 0.000 | 702.752 |