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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 | -25.5685421 | -25.8720184 | 0.3034763 | 0.0000000 | 25.8720184 | ||||||
| cm-1 | 3693.0 | 3064.7 | 628.3 | ||||||||
| eV | -695.755 | 0.458 | -695.298 | -704.013 | 0.380 | -703.633 | 8.258 | 0.078 | 8.336 | 0.000 | 704.013 |