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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 | -54.7103779 | -55.0445543 | 0.3341765 | 0.0000000 | 55.0445543 | ||||||
| cm-1 | 3838.1 | 4396.1 | -558.0 | ||||||||
| eV | -1488.745 | 0.476 | -1488.269 | -1497.838 | 0.545 | -1497.293 | 9.093 | -0.069 | 9.024 | 0.000 | 1497.838 |