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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 | -395.6478746 | -396.0806438 | 0.4327692 | 0.0000000 | 396.0806438 | ||||||
| cm-1 | 642.1 | 663.6 | -21.5 | ||||||||
| eV | -10766.126 | 0.080 | -10766.047 | -10777.902 | 0.082 | -10777.820 | 11.776 | -0.003 | 11.774 | 0.000 | 10777.902 |