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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 | CS | 2A" |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -189.2855005 | -189.3470993 | 0.0615988 | ||||||
cm-1 | 8969.7 | 8575.3 | 394.4 | ||||||
eV | -5150.720 | 1.112 | -5149.608 | -5152.397 | 1.063 | -5151.333 | 1.676 | 0.049 | 1.725 |