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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 | -460.6289069 | -460.6024499 | -0.0264570 | ||||||
cm-1 | 1440.4 | 278.4 | 1162.0 | ||||||
eV | -12534.350 | 0.179 | -12534.171 | -12533.630 | 0.035 | -12533.596 | -0.720 | 0.144 | -0.576 |