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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 | -113.2104867 | -113.4831710 | 0.2726843 | 0.0000000 | 113.4831710 | ||||||
| cm-1 | 2802.8 | 2807.3 | -4.5 | ||||||||
| eV | -3080.614 | 0.348 | -3080.267 | -3088.034 | 0.348 | -3087.686 | 7.420 | -0.001 | 7.420 | 0.000 | 3088.034 |