![]() |
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 > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy |
Cation | Neutral | Difference | Vertical | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -958.2983183 | -958.5918892 | 0.2935709 | 0.0000000 | 958.5918892 | ||||||
cm-1 | 3683.9 | 3318.7 | 365.2 | ||||||||
eV | -26076.623 | 0.457 | -26076.167 | -26084.612 | 0.411 | -26084.200 | 7.988 | 0.045 | 8.034 | 0.000 | 26084.612 |