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 | 2B2 |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -940.6023454 | -940.8692244 | 0.2668790 | ||||||
cm-1 | 3884.1 | 4101.5 | -217.4 | ||||||
eV | -25595.091 | 0.482 | -25594.610 | -25602.354 | 0.509 | -25601.845 | 7.262 | -0.027 | 7.235 |