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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 | -107.0538614 | -107.4583224 | 0.4044610 | 0.0000000 | 107.4583224 | ||||||
| cm-1 | 150.2 | 465.8 | -315.6 | ||||||||
| eV | -2913.084 | 0.019 | -2913.065 | -2924.090 | 0.058 | -2924.032 | 11.006 | -0.039 | 10.967 | 0.000 | 2924.090 |