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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 | -556.0454037 | -556.4869950 | 0.4415913 | 0.0000000 | 556.4869950 | ||||||
| cm-1 | 328.0 | 346.1 | -18.1 | ||||||||
| eV | -15130.765 | 0.041 | -15130.724 | -15142.781 | 0.043 | -15142.738 | 12.016 | -0.002 | 12.014 | 0.000 | 15142.781 |