![]() |
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 | -395.6383318 | -396.0685276 | 0.4301958 | 0.0000000 | 396.0685276 | ||||||
cm-1 | 649.8 | 663.0 | -13.1 | ||||||||
eV | -10765.867 | 0.081 | -10765.786 | -10777.573 | 0.082 | -10777.491 | 11.706 | -0.002 | 11.705 | 0.000 | 10777.573 |