![]() |
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 | -438.2014393 | -438.5411923 | 0.3397531 | 0.0000000 | 438.5411923 | ||||||
cm-1 | 9490.9 | 9733.3 | -242.3 | ||||||||
eV | -11924.068 | 1.177 | -11922.891 | -11933.313 | 1.207 | -11932.106 | 9.245 | -0.030 | 9.215 | 0.000 | 11933.313 |