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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 | -2024.3331930 | -2024.7176262 | 0.3844332 | 0.0000000 | 2024.7176262 | ||||||
| cm-1 | 327.9 | 298.4 | 29.6 | ||||||||
| eV | -55084.908 | 0.041 | -55084.867 | -55095.369 | 0.037 | -55095.332 | 10.461 | 0.004 | 10.465 | 0.000 | 55095.369 |