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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 | -398.3848554 | -398.7623096 | 0.3774542 | 0.0000000 | 398.7623096 | ||||||
| cm-1 | 1252.7 | 1304.6 | -51.9 | ||||||||
| eV | -10840.603 | 0.155 | -10840.448 | -10850.874 | 0.162 | -10850.713 | 10.271 | -0.006 | 10.265 | 0.000 | 10850.874 |