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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 | -1044.7841537 | -1045.0673841 | 0.2832304 | 0.0000000 | 1045.0673841 | ||||||
| cm-1 | 883.7 | 816.6 | 67.0 | ||||||||
| eV | -28430.023 | 0.110 | -28429.913 | -28437.730 | 0.101 | -28437.628 | 7.707 | 0.008 | 7.715 | 0.000 | 28437.730 |