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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 | -131.0298172 | -131.3496408 | 0.3198236 | 0.0000000 | 131.3496408 | ||||||
| cm-1 | 8321.1 | 8457.1 | -136.0 | ||||||||
| eV | -3565.503 | 1.032 | -3564.471 | -3574.205 | 1.049 | -3573.157 | 8.703 | -0.017 | 8.686 | 0.000 | 3574.205 |