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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 | -131.9830907 | -132.3457384 | 0.3626476 | 0.0000000 | 132.3457384 | ||||||
| cm-1 | 9025.1 | 9480.3 | -455.1 | ||||||||
| eV | -3591.443 | 1.119 | -3590.324 | -3601.311 | 1.175 | -3600.135 | 9.868 | -0.056 | 9.812 | 0.000 | 3601.311 |