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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 | -405.2742918 | -405.5628659 | 0.2885741 | 0.0000000 | 405.5628659 | ||||||
| cm-1 | 167.4 | 280.8 | -113.4 | ||||||||
| eV | -11028.074 | 0.021 | -11028.054 | -11035.927 | 0.035 | -11035.892 | 7.853 | -0.014 | 7.838 | 0.000 | 11035.927 |