| |
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 | -107.0029712 | -107.4036291 | 0.4006580 | 0.0000000 | 107.4036291 | ||||||
| cm-1 | 101.9 | 410.1 | -308.2 | ||||||||
| eV | -2911.699 | 0.013 | -2911.686 | -2922.601 | 0.051 | -2922.551 | 10.902 | -0.038 | 10.864 | 0.000 | 2922.601 |