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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 | -496.6450160 | -497.0478478 | 0.4028318 | 0.0000000 | 497.0478478 | ||||||
| cm-1 | 7374.2 | 8071.4 | -697.2 | ||||||||
| eV | -13514.398 | 0.914 | -13513.484 | -13525.360 | 1.001 | -13524.359 | 10.962 | -0.086 | 10.875 | 0.000 | 13525.360 |