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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 | -108.7232762 | -109.0138016 | 0.2905255 | 0.0000000 | 109.0138016 | ||||||
cm-1 | 7479.4 | 6297.2 | 1182.1 | ||||||||
eV | -2958.511 | 0.927 | -2957.583 | -2966.416 | 0.781 | -2965.636 | 7.906 | 0.147 | 8.052 | 0.000 | 2966.416 |