![]() |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
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 |
---|---|---|---|---|
1 | 1 | no |
Neutral | Anion | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -2797.3367929 | -2797.3766488 | 0.0398559 | ||||||
cm-1 | 278.3 | 220.3 | 58.0 | ||||||
eV | -76119.405 | 0.035 | -76119.371 | -76120.490 | 0.027 | -76120.462 | 1.085 | 0.007 | 1.092 |