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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 | -77.0424116 | -77.3512536 | 0.3088421 | 0.0000000 | 77.3512536 | ||||||
| cm-1 | 7810.2 | 8235.2 | -425.0 | ||||||||
| eV | -2096.431 | 0.968 | -2095.462 | -2104.835 | 1.021 | -2103.814 | 8.404 | -0.053 | 8.351 | 0.000 | 2104.835 |