![]() |
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 | -957.6710864 | -957.9666521 | 0.2955657 | 0.0000000 | 957.9666521 | ||||||
cm-1 | 3721.2 | 3368.7 | 352.5 | ||||||||
eV | -26059.556 | 0.461 | -26059.094 | -26067.598 | 0.418 | -26067.181 | 8.043 | 0.044 | 8.086 | 0.000 | 26067.598 |