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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 | -420.5747825 | -420.9912717 | 0.4164893 | 0.0000000 | 420.9912717 | ||||||
| cm-1 | 593.9 | 573.8 | 20.1 | ||||||||
| eV | -11444.422 | 0.074 | -11444.348 | -11455.755 | 0.071 | -11455.684 | 11.333 | 0.002 | 11.336 | 0.000 | 11455.755 |