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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 | -75.0760450 | -75.5410449 | 0.4649999 | 0.0000000 | 75.5410449 | ||||||
| cm-1 | 1522.7 | 1798.0 | -275.3 | ||||||||
| eV | -2042.923 | 0.189 | -2042.734 | -2055.576 | 0.223 | -2055.353 | 12.653 | -0.034 | 12.619 | 0.000 | 2055.576 |