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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 | -494.8271187 | -495.1949598 | 0.3678410 | 0.0000000 | 495.1949598 | ||||||
| cm-1 | 441.7 | 379.6 | 62.0 | ||||||||
| eV | -13464.931 | 0.055 | -13464.876 | -13474.940 | 0.047 | -13474.893 | 10.009 | 0.008 | 10.017 | 0.000 | 13474.940 |