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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 | -164.3077649 | -164.7040016 | 0.3962367 | 0.0000000 | 164.7040016 | ||||||
| cm-1 | 4077.6 | 4508.4 | -430.8 | ||||||||
| eV | -4471.042 | 0.506 | -4470.536 | -4481.824 | 0.559 | -4481.265 | 10.782 | -0.053 | 10.729 | 0.000 | 4481.824 |