| |
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 | -37.9831703 | -38.3684910 | 0.3853207 | 0.0000000 | 38.3684910 | ||||||
| cm-1 | 1403.2 | 1401.2 | 2.0 | ||||||||
| eV | -1033.575 | 0.174 | -1033.401 | -1044.060 | 0.174 | -1043.886 | 10.485 | 0.000 | 10.485 | 0.000 | 1044.060 |