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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 | 2Σ |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -640.2774205 | -640.3650554 | 0.0876349 | ||||||
cm-1 | 295.8 | 269.2 | 26.6 | ||||||
eV | -17422.835 | 0.037 | -17422.798 | -17425.219 | 0.033 | -17425.186 | 2.385 | 0.003 | 2.388 |