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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 | -48.8187288 | -49.0622754 | 0.2435466 | 0.0000000 | 49.0622754 | ||||||
| cm-1 | 167.2 | 413.0 | -245.8 | ||||||||
| eV | -1328.425 | 0.021 | -1328.404 | -1335.052 | 0.051 | -1335.001 | 6.627 | -0.030 | 6.597 | 0.000 | 1335.052 |