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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 | -398.9538959 | -399.3365338 | 0.3826380 | 0.0000000 | 399.3365338 | ||||||
| cm-1 | 3130.7 | 3208.2 | -77.5 | ||||||||
| eV | -10856.088 | 0.388 | -10855.699 | -10866.500 | 0.398 | -10866.102 | 10.412 | -0.010 | 10.403 | 0.000 | 10866.500 |