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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 | -132.1923735 | -132.5557778 | 0.3634043 | 0.0000000 | 132.5557778 | ||||||
| cm-1 | 9488.4 | 9948.1 | -459.7 | ||||||||
| eV | -3597.137 | 1.176 | -3595.961 | -3607.026 | 1.233 | -3605.793 | 9.889 | -0.057 | 9.832 | 0.000 | 3607.026 |