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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 | 2A' |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -78.9359716 | -78.8933708 | -0.0426008 | ||||||
cm-1 | 12608.8 | 12190.5 | 418.3 | ||||||
eV | -2147.957 | 1.563 | -2146.394 | -2146.798 | 1.511 | -2145.286 | -1.159 | 0.052 | -1.107 |