| |
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 | -21.5098234 | -21.8861553 | 0.3763318 | 0.0000000 | 21.8861553 | ||||||
| cm-1 | 7244.3 | 8030.5 | -786.2 | ||||||||
| eV | -585.312 | 0.898 | -584.414 | -595.553 | 0.996 | -594.557 | 10.241 | -0.097 | 10.143 | 0.000 | 595.553 |