![]() |
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 | -56.8642716 | -57.0162784 | 0.1520068 | 0.0000000 | 57.0162784 | ||||||
cm-1 | 10968.1 | 9277.7 | 1690.4 | ||||||||
eV | -1547.356 | 1.360 | -1545.996 | -1551.492 | 1.150 | -1550.342 | 4.136 | 0.210 | 4.346 | 0.000 | 1551.492 |