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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 | -92.4208878 | -92.6603244 | 0.2394366 | 0.0000000 | 92.6603244 | ||||||
| cm-1 | 5118.6 | 5329.2 | -210.6 | ||||||||
| eV | -2514.900 | 0.635 | -2514.266 | -2521.416 | 0.661 | -2520.755 | 6.515 | -0.026 | 6.489 | 0.000 | 2521.416 |