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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 | -470.3881247 | -470.7154655 | 0.3273408 | 0.0000000 | 470.7154655 | ||||||
| cm-1 | 2493.8 | 2627.6 | -133.8 | ||||||||
| eV | -12799.912 | 0.309 | -12799.603 | -12808.819 | 0.326 | -12808.493 | 8.907 | -0.017 | 8.891 | 0.000 | 12808.819 |