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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 | -337.1607680 | -337.4790514 | 0.3182834 | 0.0000000 | 337.4790514 | ||||||
cm-1 | 3084.0 | 2600.6 | 483.4 | ||||||||
eV | -9174.611 | 0.382 | -9174.229 | -9183.272 | 0.322 | -9182.950 | 8.661 | 0.060 | 8.721 | 0.000 | 9183.272 |