| |
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 | -421.9562782 | -422.3580723 | 0.4017941 | 0.0000000 | 422.3580723 | ||||||
| cm-1 | 573.2 | 577.2 | -4.1 | ||||||||
| eV | -11482.014 | 0.071 | -11481.943 | -11492.948 | 0.072 | -11492.876 | 10.933 | -0.001 | 10.933 | 0.000 | 11492.948 |