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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 | 2B1 |
| Neutral | Anion | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
| Hartrees | -114.6144075 | -114.5595376 | -0.0548699 | ||||||
| cm-1 | 8580.3 | 8645.7 | -65.4 | ||||||
| eV | -3118.817 | 1.064 | -3117.753 | -3117.324 | 1.072 | -3116.252 | -1.493 | -0.008 | -1.501 |