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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 | -952.2908331 | -952.3693957 | 0.0785626 | ||||||
cm-1 | 691.4 | 536.3 | 155.0 | ||||||
eV | -25913.151 | 0.086 | -25913.066 | -25915.289 | 0.066 | -25915.223 | 2.138 | 0.019 | 2.157 |