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 | -184.3698264 | -184.3035086 | -0.0663178 | ||||||
cm-1 | 2183.8 | 2072.9 | 111.0 | ||||||
eV | -5016.958 | 0.271 | -5016.687 | -5015.154 | 0.257 | -5014.897 | -1.805 | 0.014 | -1.791 |