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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 | 1A1 |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -192.5871529 | -192.5063992 | -0.0807537 | ||||||
cm-1 | 17626.8 | 16813.7 | 813.1 | ||||||
eV | -5240.563 | 2.185 | -5238.377 | -5238.366 | 2.085 | -5236.281 | -2.197 | 0.101 | -2.097 |