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 | D*H | 1Σg |
Neutral | Anion | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -834.5720656 | -834.5826074 | 0.0105419 | ||||||
cm-1 | 1468.0 | 1037.8 | 430.2 | ||||||
eV | -22709.861 | 0.182 | -22709.679 | -22710.148 | 0.129 | -22710.019 | 0.287 | 0.053 | 0.340 |