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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 | -113.8057626 | -114.2016681 | 0.3959056 | 0.0000000 | 114.2016681 | ||||||
| cm-1 | 5301.3 | 5697.1 | -395.8 | ||||||||
| eV | -3096.812 | 0.657 | -3096.155 | -3107.585 | 0.706 | -3106.879 | 10.773 | -0.049 | 10.724 | 0.000 | 3107.585 |