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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 | -99.5613720 | -100.1140355 | 0.5526635 | 0.0000000 | 100.1140355 | ||||||
| cm-1 | 1333.0 | 1818.0 | -484.9 | ||||||||
| eV | -2709.203 | 0.165 | -2709.037 | -2724.241 | 0.225 | -2724.016 | 15.039 | -0.060 | 14.979 | 0.000 | 2724.241 |