| |
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 | -162.5770754 | -162.8331107 | 0.2560353 | 0.0000000 | 162.8331107 | ||||||
| cm-1 | 141.7 | 558.2 | -416.5 | ||||||||
| eV | -4423.947 | 0.018 | -4423.930 | -4430.914 | 0.069 | -4430.845 | 6.967 | -0.052 | 6.915 | 0.000 | 4430.914 |