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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 | C2V | 2B1 |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -610.2502151 | -610.3231003 | 0.0728852 | ||||||
cm-1 | 1086.3 | 886.2 | 200.1 | ||||||
eV | -16605.753 | 0.135 | -16605.618 | -16607.736 | 0.110 | -16607.626 | 1.983 | 0.025 | 2.008 |