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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 | -56.1670270 | -56.5311794 | 0.3641524 | 0.0000000 | 56.5311794 | ||||||
| cm-1 | 6989.1 | 7399.3 | -410.2 | ||||||||
| eV | -1528.383 | 0.867 | -1527.516 | -1538.292 | 0.917 | -1537.374 | 9.909 | -0.051 | 9.858 | 0.000 | 1538.292 |