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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 | -114.3698387 | -114.3058674 | -0.0639713 | ||||||
cm-1 | 5593.9 | 4781.0 | 813.0 | ||||||
eV | -3112.162 | 0.694 | -3111.468 | -3110.421 | 0.593 | -3109.828 | -1.741 | 0.101 | -1.640 |