![]() |
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 | -261.7967140 | -262.1684908 | 0.3717769 | 0.0000000 | 262.1684908 | ||||||
cm-1 | 66.0 | 249.4 | -183.4 | ||||||||
eV | -7123.851 | 0.008 | -7123.843 | -7133.967 | 0.031 | -7133.937 | 10.117 | -0.023 | 10.094 | 0.000 | 7133.967 |