![]() |
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 | -77.6113924 | -77.9306001 | 0.3192077 | 0.0000000 | 77.9306001 | ||||||
cm-1 | 7518.0 | 7998.6 | -480.6 | ||||||||
eV | -2111.913 | 0.932 | -2110.981 | -2120.599 | 0.992 | -2119.608 | 8.686 | -0.060 | 8.626 | 0.000 | 2120.599 |