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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 | D*H | 1Σg |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -1.1641349 | -1.0017502 | -0.1623846 | ||||||
cm-1 | 2090.7 | 303.1 | 1787.6 | ||||||
eV | -31.678 | 0.259 | -31.419 | -27.259 | 0.038 | -27.221 | -4.419 | 0.222 | -4.197 |