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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 | -25.5335248 | -25.8205397 | 0.2870149 | 0.0000000 | 25.8205397 | ||||||
| cm-1 | 3652.6 | 3076.8 | 575.8 | ||||||||
| eV | -694.803 | 0.453 | -694.350 | -702.613 | 0.381 | -702.231 | 7.810 | 0.071 | 7.881 | 0.000 | 702.613 |