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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 | -113.5862570 | -113.5558391 | -0.0304180 | ||||||
cm-1 | 2758.0 | 1855.1 | 902.9 | ||||||
eV | -3090.839 | 0.342 | -3090.497 | -3090.012 | 0.230 | -3089.782 | -0.828 | 0.112 | -0.716 |