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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 | -100.4626427 | -100.4390720 | -0.0235707 | ||||||
cm-1 | 1984.8 | 1785.0 | 199.8 | ||||||
eV | -2733.728 | 0.246 | -2733.481 | -2733.086 | 0.221 | -2732.865 | -0.641 | 0.025 | -0.617 |