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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 | -204.1180417 | -204.1852212 | 0.0671796 | ||||||
cm-1 | 1933.6 | 1703.1 | 230.4 | ||||||
eV | -5554.334 | 0.240 | -5554.095 | -5556.162 | 0.211 | -5555.951 | 1.828 | 0.029 | 1.857 |