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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 |
|---|---|---|---|---|
| 1 | 1 | yes | C2V | 2A1 |
| Neutral | Anion | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
| Hartrees | -201.2835971 | -201.1639524 | -0.1196447 | ||||||
| cm-1 | 1547.1 | 1621.5 | -74.4 | ||||||
| eV | -5477.205 | 0.192 | -5477.013 | -5473.950 | 0.201 | -5473.748 | -3.256 | -0.009 | -3.265 |