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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 | -497.4538959 | -497.8209951 | 0.3670992 | 0.0000000 | 497.8209951 | ||||||
| cm-1 | 480.0 | 393.0 | 87.0 | ||||||||
| eV | -13536.409 | 0.060 | -13536.349 | -13546.398 | 0.049 | -13546.349 | 9.989 | 0.011 | 10.000 | 0.000 | 13546.398 |