![]() |
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 | -137.9086766 | -138.2424976 | 0.3338210 | 0.0000000 | 138.2424976 | ||||||
cm-1 | 5715.2 | 5268.4 | 446.8 | ||||||||
eV | -3752.686 | 0.709 | -3751.977 | -3761.770 | 0.653 | -3761.116 | 9.084 | 0.055 | 9.139 | 0.000 | 3761.770 |