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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 | -0.6050515 | -1.1646633 | 0.5596118 | 0.0000000 | 1.1646633 | ||||||
| cm-1 | 984.7 | 2159.4 | -1174.7 | ||||||||
| eV | -16.464 | 0.122 | -16.342 | -31.692 | 0.268 | -31.424 | 15.228 | -0.146 | 15.082 | 0.000 | 31.692 |