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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 | -38.5808008 | -38.9376260 | 0.3568252 | 0.0000000 | 38.9376260 | ||||||
| cm-1 | 3475.6 | 3616.0 | -140.4 | ||||||||
| eV | -1049.837 | 0.431 | -1049.406 | -1059.547 | 0.448 | -1059.098 | 9.710 | -0.017 | 9.692 | 0.000 | 1059.547 |