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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 | -124.0361994 | -124.4257404 | 0.3895409 | 0.0000000 | 124.4257404 | ||||||
| cm-1 | 811.5 | 670.7 | 140.9 | ||||||||
| eV | -3375.197 | 0.101 | -3375.096 | -3385.797 | 0.083 | -3385.713 | 10.600 | 0.017 | 10.617 | 0.000 | 3385.797 |