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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 | -435.1387784 | -435.5400972 | 0.4013189 | 0.0000000 | 435.5400972 | ||||||
| cm-1 | 653.0 | 628.1 | 24.9 | ||||||||
| eV | -11840.728 | 0.081 | -11840.647 | -11851.649 | 0.078 | -11851.571 | 10.920 | 0.003 | 10.924 | 0.000 | 11851.649 |