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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 | -56.1176131 | -56.4772663 | 0.3596532 | 0.0000000 | 56.4772663 | ||||||
cm-1 | 6930.4 | 7289.8 | -359.4 | ||||||||
eV | -1527.038 | 0.859 | -1526.179 | -1536.825 | 0.904 | -1535.921 | 9.787 | -0.045 | 9.742 | 0.000 | 1536.825 |