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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 | -386.9314499 | -387.2077753 | 0.2763253 | 0.0000000 | 387.2077753 | ||||||
| cm-1 | 475.7 | 413.1 | 62.6 | ||||||||
| eV | -10528.940 | 0.059 | -10528.881 | -10536.459 | 0.051 | -10536.408 | 7.519 | 0.008 | 7.527 | 0.000 | 10536.459 |