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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 | -92.9521818 | -93.2499248 | 0.2977429 | 0.0000000 | 93.2499248 | ||||||
cm-1 | 8357.8 | 9290.0 | -932.2 | ||||||||
eV | -2529.358 | 1.036 | -2528.321 | -2537.459 | 1.152 | -2536.308 | 8.102 | -0.116 | 7.986 | 0.000 | 2537.459 |