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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 | -19.3927953 | -19.8001431 | 0.4073479 | 0.0000000 | 19.8001431 | ||||||
| cm-1 | 362.2 | 439.1 | -76.9 | ||||||||
| eV | -527.705 | 0.045 | -527.660 | -538.789 | 0.054 | -538.735 | 11.084 | -0.010 | 11.075 | 0.000 | 538.789 |