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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 | 2Σ |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -18.3667948 | -18.4138203 | 0.0470255 | ||||||
cm-1 | 922.4 | 830.6 | 91.8 | ||||||
eV | -499.786 | 0.114 | -499.672 | -501.066 | 0.103 | -500.963 | 1.280 | 0.011 | 1.291 |