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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 | -622.2907725 | -622.6249855 | 0.3342130 | 0.0000000 | 622.6249855 | ||||||
| cm-1 | 77.1 | 173.2 | -96.1 | ||||||||
| eV | -16933.393 | 0.010 | -16933.384 | -16942.487 | 0.021 | -16942.466 | 9.094 | -0.012 | 9.082 | 0.000 | 16942.487 |