| |
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 | -152.8760339 | -153.1309943 | 0.2549604 | 0.0000000 | 153.1309943 | ||||||
| cm-1 | 9410.6 | 9102.4 | 308.2 | ||||||||
| eV | -4159.968 | 1.167 | -4158.802 | -4166.906 | 1.129 | -4165.778 | 6.938 | 0.038 | 6.976 | 0.000 | 4166.906 |