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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 | -203.1867702 | -203.2081392 | 0.0213690 | ||||||
cm-1 | 1544.2 | 1465.5 | 78.7 | ||||||
eV | -5528.993 | 0.191 | -5528.802 | -5529.575 | 0.182 | -5529.393 | 0.581 | 0.010 | 0.591 |