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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 | CS | 1A' |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -114.1790524 | -113.8844883 | -0.2945641 | ||||||
cm-1 | 10724.1 | 8696.9 | 2027.2 | ||||||
eV | -3106.970 | 1.330 | -3105.640 | -3098.955 | 1.078 | -3097.876 | -8.015 | 0.251 | -7.764 |