![]() |
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 | -499.7648320 | -500.1728934 | 0.4080613 | 0.0000000 | 500.1728934 | ||||||
cm-1 | 6965.8 | 7965.5 | -999.7 | ||||||||
eV | -13599.293 | 0.864 | -13598.429 | -13610.397 | 0.988 | -13609.409 | 11.104 | -0.124 | 10.980 | 0.000 | 13610.397 |