| |
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 | -0.1973452 | -0.3218450 | 0.1244998 | 0.0000000 | 0.3218450 | ||||||
| cm-1 | 35.9 | 51.8 | -15.9 | ||||||||
| eV | -5.370 | 0.004 | -5.366 | -8.758 | 0.006 | -8.751 | 3.388 | -0.002 | 3.386 | 0.000 | 8.758 |