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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 | -8.0874260 | -8.0902734 | 0.0028474 | ||||||
cm-1 | 681.8 | 540.8 | 141.0 | ||||||
eV | -220.070 | 0.085 | -219.986 | -220.148 | 0.067 | -220.080 | 0.077 | 0.017 | 0.095 |