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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 | -597.7751707 | -598.0547131 | 0.2795424 | 0.0000000 | 598.0547131 | ||||||
| cm-1 | 230.0 | 260.0 | -30.1 | ||||||||
| eV | -16266.290 | 0.029 | -16266.261 | -16273.896 | 0.032 | -16273.864 | 7.607 | -0.004 | 7.603 | 0.000 | 16273.896 |