![]() |
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 | -958.4195720 | -958.7231840 | 0.3036120 | 0.0000000 | 958.7231840 | ||||||
cm-1 | 3869.4 | 3078.2 | 791.2 | ||||||||
eV | -26079.923 | 0.480 | -26079.443 | -26088.185 | 0.382 | -26087.803 | 8.262 | 0.098 | 8.360 | 0.000 | 26088.185 |