![]() |
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 | -75.4728734 | -75.8661981 | 0.3933247 | 0.0000000 | 75.8661981 | ||||||
cm-1 | 656.3 | 908.4 | -252.1 | ||||||||
eV | -2053.721 | 0.081 | -2053.640 | -2064.424 | 0.113 | -2064.312 | 10.703 | -0.031 | 10.672 | 0.000 | 2064.424 |