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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 | -203.8475546 | -203.8843305 | 0.0367760 | ||||||
| cm-1 | 1541.8 | 1449.6 | 92.2 | ||||||
| eV | -5546.974 | 0.191 | -5546.783 | -5547.975 | 0.180 | -5547.795 | 1.001 | 0.011 | 1.012 |