| |
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 | -379.6076308 | -379.9943748 | 0.3867440 | -379.6037916 | 0.3905832 | ||||||
| cm-1 | 2783.8 | 2974.0 | -190.2 | ||||||||
| eV | -10329.649 | 0.345 | -10329.304 | -10340.173 | 0.369 | -10339.804 | 10.524 | -0.024 | 10.500 | -10329.544 | 10.628 |