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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 | -434.4169206 | -434.6991816 | 0.2822610 | 0.0000000 | 434.6991816 | ||||||
| cm-1 | 3052.1 | 2501.5 | 550.7 | ||||||||
| eV | -11821.086 | 0.378 | -11820.707 | -11828.766 | 0.310 | -11828.456 | 7.681 | 0.068 | 7.749 | 0.000 | 11828.766 |