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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 | C*V | 1Σ |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -100.2186767 | -100.1200299 | -0.0986467 | ||||||
cm-1 | 1937.5 | 164.8 | 1772.7 | ||||||
eV | -2727.089 | 0.240 | -2726.849 | -2724.405 | 0.020 | -2724.384 | -2.684 | 0.220 | -2.465 |