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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 | -164.3420470 | -164.7352724 | 0.3932254 | 0.0000000 | 164.7352724 | ||||||
| cm-1 | 3880.7 | 4289.9 | -409.2 | ||||||||
| eV | -4471.975 | 0.481 | -4471.493 | -4482.675 | 0.532 | -4482.143 | 10.700 | -0.051 | 10.649 | 0.000 | 4482.675 |