| |
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 | -415.3356155 | -415.6339999 | 0.2983845 | 0.0000000 | 415.6339999 | ||||||
| cm-1 | 759.3 | 651.8 | 107.5 | ||||||||
| eV | -11301.857 | 0.094 | -11301.763 | -11309.976 | 0.081 | -11309.896 | 8.119 | 0.013 | 8.133 | 0.000 | 11309.976 |