![]() |
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 | -130.1396540 | -130.5064774 | 0.3668234 | 0.0000000 | 130.5064774 | ||||||
cm-1 | 2893.8 | 2912.9 | -19.0 | ||||||||
eV | -3541.280 | 0.359 | -3540.921 | -3551.262 | 0.361 | -3550.901 | 9.982 | -0.002 | 9.979 | 0.000 | 3551.262 |