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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 | -451.9201256 | -452.1860191 | 0.2658935 | 0.0000000 | 452.1860191 | ||||||
| cm-1 | 576.2 | 619.5 | -43.3 | ||||||||
| eV | -12297.372 | 0.071 | -12297.301 | -12304.607 | 0.077 | -12304.531 | 7.235 | -0.005 | 7.230 | 0.000 | 12304.607 |