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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 | -68.0543128 | -68.3343897 | 0.2800769 | 0.0000000 | 68.3343897 | ||||||
| cm-1 | 324.5 | 397.2 | -72.7 | ||||||||
| eV | -1851.852 | 0.040 | -1851.812 | -1859.473 | 0.049 | -1859.424 | 7.621 | -0.009 | 7.612 | 0.000 | 1859.473 |