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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 | -153.9088501 | -154.3556602 | 0.4468101 | 0.0000000 | 154.3556602 | ||||||
| cm-1 | 747.2 | 557.2 | 190.0 | ||||||||
| eV | -4188.073 | 0.093 | -4187.980 | -4200.231 | 0.069 | -4200.162 | 12.158 | 0.024 | 12.182 | 0.000 | 4200.231 |