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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 | -138.6556676 | -139.0963020 | 0.4406344 | 0.0000000 | 139.0963020 | ||||||
| cm-1 | 6969.5 | 8348.6 | -1379.1 | ||||||||
| eV | -3773.013 | 0.864 | -3772.148 | -3785.003 | 1.035 | -3783.968 | 11.990 | -0.171 | 11.819 | 0.000 | 3785.003 |