| |
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 | -114.4918795 | -114.7579383 | 0.2660588 | 0.0000000 | 114.7579383 | ||||||
| cm-1 | 8616.3 | 7930.9 | 685.4 | ||||||||
| eV | -3115.482 | 1.068 | -3114.414 | -3122.722 | 0.983 | -3121.739 | 7.240 | 0.085 | 7.325 | 0.000 | 3122.722 |