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 | no |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -114.9223234 | -114.9764756 | 0.0541522 | ||||||
cm-1 | 7546.7 | 7289.5 | 257.3 | ||||||
eV | -3127.195 | 0.936 | -3126.260 | -3128.669 | 0.904 | -3127.765 | 1.474 | 0.032 | 1.505 |