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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 | -5144.6444622 | -5145.0269046 | 0.3824424 | 0.0000000 | 5145.0269046 | ||||||
| cm-1 | 166.9 | 154.2 | 12.7 | ||||||||
| eV | -139992.895 | 0.021 | -139992.875 | -140003.302 | 0.019 | -140003.283 | 10.407 | 0.002 | 10.408 | 0.000 | 140003.302 |