![]() |
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 | -154.0009586 | -154.4527560 | 0.4517974 | 0.0000000 | 154.4527560 | ||||||
cm-1 | 791.3 | 569.7 | 221.6 | ||||||||
eV | -4190.579 | 0.098 | -4190.481 | -4202.873 | 0.071 | -4202.803 | 12.294 | 0.027 | 12.322 | 0.000 | 4202.873 |