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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 | -737.9948878 | -738.2374941 | 0.2426063 | 0.0000000 | 738.2374941 | ||||||
| cm-1 | 259.0 | 187.5 | 71.5 | ||||||||
| eV | -20081.862 | 0.032 | -20081.830 | -20088.464 | 0.023 | -20088.441 | 6.602 | 0.009 | 6.611 | 0.000 | 20088.464 |