| |
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 | -48.5480968 | -48.7987824 | 0.2506856 | 0.0000000 | 48.7987824 | ||||||
| cm-1 | 164.0 | 399.7 | -235.6 | ||||||||
| eV | -1321.061 | 0.020 | -1321.041 | -1327.882 | 0.050 | -1327.833 | 6.822 | -0.029 | 6.792 | 0.000 | 1327.882 |