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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 > Electron Affinity > Calculated Electron affinity OR Calculated > Energy > Ion > Calculated Electron affinity |
State | Conformation | minimum conformation | conformer description | state description |
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1 | 1 | yes | C2V | 1A1 |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -114.4880003 | -114.4387748 | -0.0492256 | ||||||
cm-1 | 5616.8 | 4754.3 | 862.5 | ||||||
eV | -3115.377 | 0.696 | -3114.681 | -3114.037 | 0.589 | -3113.448 | -1.339 | 0.107 | -1.233 |