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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 | -106.8032606 | -107.2066780 | 0.4034175 | 0.0000000 | 107.2066780 | ||||||
| cm-1 | 213.5 | 440.3 | -226.8 | ||||||||
| eV | -2906.265 | 0.026 | -2906.238 | -2917.242 | 0.055 | -2917.187 | 10.978 | -0.028 | 10.949 | 0.000 | 2917.242 |