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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 | -343.6745605 | -344.0470169 | 0.3724564 | 0.0000000 | 344.0470169 | ||||||
| cm-1 | 451.9 | 573.8 | -121.8 | ||||||||
| eV | -9351.860 | 0.056 | -9351.804 | -9361.995 | 0.071 | -9361.924 | 10.135 | -0.015 | 10.120 | 0.000 | 9361.995 |