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 | 2Π |
Neutral | Anion | Difference | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -2400.2218205 | -2400.2888502 | 0.0670297 | ||||||
cm-1 | 1164.1 | 1136.8 | 27.2 | ||||||
eV | -65313.357 | 0.144 | -65313.213 | -65315.181 | 0.141 | -65315.040 | 1.824 | 0.003 | 1.827 |