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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 | -548.5911491 | -548.6067579 | 0.0156088 | ||||||
cm-1 | 1330.5 | 1083.5 | 247.0 | ||||||
eV | -14927.924 | 0.165 | -14927.759 | -14928.349 | 0.134 | -14928.215 | 0.425 | 0.031 | 0.455 |