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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 | -132.2138976 | -132.5783791 | 0.3644815 | 0.0000000 | 132.5783791 | ||||||
| cm-1 | 9051.6 | 9534.4 | -482.8 | ||||||||
| eV | -3597.723 | 1.122 | -3596.601 | -3607.641 | 1.182 | -3606.459 | 9.918 | -0.060 | 9.858 | 0.000 | 3607.641 |