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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 | -237.8039056 | -238.1106564 | 0.3067508 | 0.0000000 | 238.1106564 | ||||||
| cm-1 | 4493.0 | 4079.4 | 413.6 | ||||||||
| eV | -6470.973 | 0.557 | -6470.416 | -6479.320 | 0.506 | -6478.815 | 8.347 | 0.051 | 8.398 | 0.000 | 6479.320 |