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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 | -1043.7567599 | -1043.9689963 | 0.2122364 | 0.0000000 | 1043.9689963 | ||||||
| cm-1 | 876.0 | 665.1 | 210.9 | ||||||||
| eV | -28402.066 | 0.109 | -28401.957 | -28407.841 | 0.082 | -28407.759 | 5.775 | 0.026 | 5.801 | 0.000 | 28407.841 |