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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 | -341.5297145 | -341.8721520 | 0.3424375 | -341.5296862 | 0.3424658 | ||||||
cm-1 | 2882.2 | 2823.9 | 58.2 | ||||||||
eV | -9293.496 | 0.357 | -9293.139 | -9302.814 | 0.350 | -9302.464 | 9.318 | 0.007 | 9.325 | -9293.495 | 9.319 |