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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 | -629.2809474 | -629.5608303 | 0.2798828 | 0.0000000 | 629.5608303 | ||||||
| cm-1 | 231.1 | 304.7 | -73.7 | ||||||||
| eV | -17123.605 | 0.029 | -17123.577 | -17131.221 | 0.038 | -17131.184 | 7.616 | -0.009 | 7.607 | 0.000 | 17131.221 |