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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 | -7.2207168 | -7.5726015 | 0.3518847 | 0.0000000 | 7.5726015 | ||||||
cm-1 | 2880.7 | 2844.2 | 36.6 | ||||||||
eV | -196.486 | 0.357 | -196.129 | -206.061 | 0.353 | -205.708 | 9.575 | 0.005 | 9.580 | 0.000 | 206.061 |