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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 | -75.2487647 | -75.7296413 | 0.4808766 | 0.0000000 | 75.7296413 | ||||||
| cm-1 | 1590.9 | 1897.6 | -306.7 | ||||||||
| eV | -2047.623 | 0.197 | -2047.426 | -2060.708 | 0.235 | -2060.473 | 13.085 | -0.038 | 13.047 | 0.000 | 2060.708 |