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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 | -76.4463077 | -76.4248008 | -0.0215069 | ||||||
cm-1 | 4763.8 | 4624.7 | 139.1 | ||||||
eV | -2080.210 | 0.591 | -2079.619 | -2079.625 | 0.573 | -2079.051 | -0.585 | 0.017 | -0.568 |