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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 | -397.8932952 | -398.2523917 | 0.3590964 | 0.0000000 | 398.2523917 | ||||||
| cm-1 | 1218.9 | 1279.6 | -60.7 | ||||||||
| eV | -10827.227 | 0.151 | -10827.076 | -10836.999 | 0.159 | -10836.840 | 9.772 | -0.008 | 9.764 | 0.000 | 10836.999 |