![]() |
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 | -75.3135072 | -75.7325346 | 0.4190274 | 0.0000000 | 75.7325346 | ||||||
cm-1 | 635.6 | 869.6 | -234.0 | ||||||||
eV | -2049.385 | 0.079 | -2049.306 | -2060.787 | 0.108 | -2060.679 | 11.402 | -0.029 | 11.373 | 0.000 | 2060.787 |