| |
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 | -129.3951355 | -129.7207168 | 0.3255814 | 0.0000000 | 129.7207168 | ||||||
| cm-1 | 964.8 | 1664.1 | -699.3 | ||||||||
| eV | -3521.021 | 0.120 | -3520.901 | -3529.880 | 0.206 | -3529.674 | 8.860 | -0.087 | 8.773 | 0.000 | 3529.880 |