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 | 2Σ |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -82.6189395 | -82.6161171 | -0.0028224 | ||||||
cm-1 | 397.0 | 449.5 | -52.5 | ||||||
eV | -2248.176 | 0.049 | -2248.126 | -2248.099 | 0.056 | -2248.043 | -0.077 | -0.007 | -0.083 |