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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 | -184.4473540 | -184.4439150 | -0.0034390 | ||||||
cm-1 | 2701.1 | 1569.4 | 1131.7 | ||||||
eV | -5019.068 | 0.335 | -5018.733 | -5018.974 | 0.195 | -5018.780 | -0.094 | 0.140 | 0.047 |