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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 | 1Σ |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -459.6745404 | -459.6715110 | -0.0030294 | ||||||
cm-1 | 1379.8 | 333.1 | 1046.6 | ||||||
eV | -12508.380 | 0.171 | -12508.209 | -12508.298 | 0.041 | -12508.257 | -0.082 | 0.130 | 0.047 |