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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 | -136.9795321 | -137.3286781 | 0.3491460 | 0.0000000 | 137.3286781 | ||||||
| cm-1 | 706.9 | 513.0 | 193.8 | ||||||||
| eV | -3727.403 | 0.088 | -3727.315 | -3736.903 | 0.064 | -3736.840 | 9.501 | 0.024 | 9.525 | 0.000 | 3736.903 |