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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 | CS | 2A' |
| Neutral | Anion | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
| Hartrees | -113.6850887 | -113.6749928 | -0.0100959 | ||||||
| cm-1 | 2698.0 | 1973.8 | 724.2 | ||||||
| eV | -3093.529 | 0.335 | -3093.194 | -3093.254 | 0.245 | -3093.009 | -0.275 | 0.090 | -0.185 |