![]() |
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 | -138.6290064 | -138.9640315 | 0.3350250 | 0.0000000 | 138.9640315 | ||||||
cm-1 | 5769.4 | 5259.9 | 509.5 | ||||||||
eV | -3772.287 | 0.715 | -3771.572 | -3781.404 | 0.652 | -3780.751 | 9.116 | 0.063 | 9.180 | 0.000 | 3781.404 |