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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 | 2Π |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -529.3132637 | -529.1868492 | -0.1264145 | ||||||
cm-1 | 398.3 | 287.1 | 111.2 | ||||||
eV | -14403.346 | 0.049 | -14403.297 | -14399.906 | 0.036 | -14399.871 | -3.440 | 0.014 | -3.426 |