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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 | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -55.8783433 | -56.2730669 | 0.3947236 | 0.0000000 | 56.2730669 | ||||||
cm-1 | 6890.6 | 7323.3 | -432.7 | ||||||||
eV | -1520.527 | 0.854 | -1519.673 | -1531.268 | 0.908 | -1530.360 | 10.741 | -0.054 | 10.687 | 0.000 | 1531.268 |