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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 | -26.0011107 | -26.4267957 | 0.4256850 | 0.0000000 | 26.4267957 | ||||||
| cm-1 | 4313.5 | 5523.8 | -1210.4 | ||||||||
| eV | -707.526 | 0.535 | -706.991 | -719.110 | 0.685 | -718.425 | 11.583 | -0.150 | 11.433 | 0.000 | 719.110 |