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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 | CS | 2A' |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -77.8543587 | -77.8639480 | 0.0095893 | ||||||
cm-1 | 7750.8 | 7477.1 | 273.7 | ||||||
eV | -2118.525 | 0.961 | -2117.564 | -2118.786 | 0.927 | -2117.859 | 0.261 | 0.034 | 0.295 |