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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 | -600.0789366 | -600.3001905 | 0.2212539 | 0.0000000 | 600.3001905 | ||||||
| cm-1 | 82.2 | 473.3 | -391.0 | ||||||||
| eV | -16328.978 | 0.010 | -16328.968 | -16334.999 | 0.059 | -16334.940 | 6.021 | -0.048 | 5.972 | 0.000 | 16334.999 |