![]() |
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 | -588.8564652 | -589.2051465 | 0.3486813 | 0.0000000 | 589.2051465 | ||||||
cm-1 | 1964.7 | 1718.9 | 245.9 | ||||||||
eV | -16023.599 | 0.244 | -16023.356 | -16033.087 | 0.213 | -16032.874 | 9.488 | 0.030 | 9.519 | 0.000 | 16033.087 |