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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 | -321.3351173 | -321.8669844 | 0.5318670 | 0.0000000 | 321.8669844 | ||||||
| cm-1 | 2252.9 | 2795.4 | -542.5 | ||||||||
| eV | -8743.973 | 0.279 | -8743.694 | -8758.446 | 0.347 | -8758.099 | 14.473 | -0.067 | 14.406 | 0.000 | 8758.446 |