![]() |
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 | -15.3689918 | -15.7669079 | 0.3979162 | 0.0000000 | 15.7669079 | ||||||
cm-1 | 1712.1 | 2682.8 | -970.6 | ||||||||
eV | -418.212 | 0.212 | -417.999 | -429.039 | 0.333 | -428.707 | 10.828 | -0.120 | 10.708 | 0.000 | 429.039 |