| |
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 | -152.9840153 | -153.2428826 | 0.2588673 | -152.9274117 | 0.3154709 | ||||||
| cm-1 | 9426.9 | 9118.9 | 308.1 | ||||||||
| eV | -4162.907 | 1.169 | -4161.738 | -4169.951 | 1.131 | -4168.820 | 7.044 | 0.038 | 7.082 | -4161.367 | 8.584 |