| |
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 | -323.5696568 | -323.7423730 | 0.1727162 | 0.0000000 | 323.7423730 | ||||||
| cm-1 | 55.7 | 72.5 | -16.8 | ||||||||
| eV | -8804.778 | 0.007 | -8804.771 | -8809.478 | 0.009 | -8809.469 | 4.700 | -0.002 | 4.698 | 0.000 | 8809.478 |