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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 | -497.0737838 | -497.4920821 | 0.4182983 | 0.0000000 | 497.4920821 | ||||||
| cm-1 | 7177.3 | 8097.7 | -920.5 | ||||||||
| eV | -13526.066 | 0.890 | -13525.176 | -13537.448 | 1.004 | -13536.444 | 11.382 | -0.114 | 11.268 | 0.000 | 13537.448 |