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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 | -498.8137904 | -499.2142082 | 0.4004179 | 0.0000000 | 499.2142082 | ||||||
| cm-1 | 7394.5 | 8014.3 | -619.8 | ||||||||
| eV | -13573.414 | 0.917 | -13572.497 | -13584.309 | 0.994 | -13583.316 | 10.896 | -0.077 | 10.819 | 0.000 | 13584.309 |