![]() |
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 | -289.7730815 | -290.0873465 | 0.3142650 | 0.0000000 | 290.0873465 | ||||||
cm-1 | 2534.1 | 2428.9 | 105.2 | ||||||||
eV | -7885.127 | 0.314 | -7884.812 | -7893.678 | 0.301 | -7893.377 | 8.552 | 0.013 | 8.565 | 0.000 | 7893.678 |