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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 | -75.2164345 | -75.6920160 | 0.4755815 | 0.0000000 | 75.6920160 | ||||||
| cm-1 | 1513.6 | 1811.4 | -297.8 | ||||||||
| eV | -2046.743 | 0.188 | -2046.556 | -2059.685 | 0.225 | -2059.460 | 12.941 | -0.037 | 12.904 | 0.000 | 2059.685 |