![]() |
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 | -130.1438622 | -130.5123387 | 0.3684765 | 0.0000000 | 130.5123387 | ||||||
cm-1 | 2809.8 | 2849.9 | -40.1 | ||||||||
eV | -3541.395 | 0.348 | -3541.046 | -3551.421 | 0.353 | -3551.068 | 10.027 | -0.005 | 10.022 | 0.000 | 3551.421 |