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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 | -162.4911173 | -162.7467695 | 0.2556522 | 0.0000000 | 162.7467695 | ||||||
| cm-1 | 146.4 | 562.5 | -416.1 | ||||||||
| eV | -4421.608 | 0.018 | -4421.590 | -4428.565 | 0.070 | -4428.495 | 6.957 | -0.052 | 6.905 | 0.000 | 4428.565 |