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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 | -497.0916633 | -497.4607557 | 0.3690924 | 0.0000000 | 497.4607557 | ||||||
| cm-1 | 497.3 | 414.6 | 82.7 | ||||||||
| eV | -13526.552 | 0.062 | -13526.490 | -13536.596 | 0.051 | -13536.544 | 10.044 | 0.010 | 10.054 | 0.000 | 13536.596 |