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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 | -107.0574424 | -107.4580342 | 0.4005918 | 0.0000000 | 107.4580342 | ||||||
| cm-1 | 142.8 | 436.8 | -294.0 | ||||||||
| eV | -2913.181 | 0.018 | -2913.163 | -2924.082 | 0.054 | -2924.028 | 10.901 | -0.036 | 10.864 | 0.000 | 2924.082 |