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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 |
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1 | 1 | yes | C*V | 1Σ |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -100.3421649 | -100.2121284 | -0.1300365 | ||||||
cm-1 | 1905.0 | 403.2 | 1501.8 | ||||||
eV | -2730.449 | 0.236 | -2730.213 | -2726.911 | 0.050 | -2726.861 | -3.538 | 0.186 | -3.352 |