| |
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 | -14.8721688 | -15.1949861 | 0.3228172 | 0.0000000 | 15.1949861 | ||||||
| cm-1 | 50.1 | 156.4 | -106.3 | ||||||||
| eV | -404.692 | 0.006 | -404.686 | -413.477 | 0.019 | -413.457 | 8.784 | -0.013 | 8.771 | 0.000 | 413.477 |