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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 | 2A1 |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -227.3699458 | -227.2818017 | -0.0881441 | ||||||
cm-1 | 18079.8 | 17631.9 | 447.9 | ||||||
eV | -6187.051 | 2.242 | -6184.809 | -6184.652 | 2.186 | -6182.466 | -2.399 | 0.056 | -2.343 |