![]() |
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 | -953.0507481 | -953.3428300 | 0.2920819 | 0.0000000 | 953.3428300 | ||||||
cm-1 | 3754.8 | 3343.8 | 411.0 | ||||||||
eV | -25933.830 | 0.466 | -25933.364 | -25941.778 | 0.415 | -25941.363 | 7.948 | 0.051 | 7.999 | 0.000 | 25941.778 |