![]() |
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 | -957.4382096 | -957.7256402 | 0.2874306 | 0.0000000 | 957.7256402 | ||||||
cm-1 | 3779.4 | 3427.9 | 351.5 | ||||||||
eV | -26053.219 | 0.469 | -26052.750 | -26061.040 | 0.425 | -26060.615 | 7.821 | 0.044 | 7.865 | 0.000 | 26061.040 |