| |
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 | -25.8713667 | -26.3089788 | 0.4376122 | 0.0000000 | 26.3089788 | ||||||
| cm-1 | 4104.9 | 5617.6 | -1512.6 | ||||||||
| eV | -703.996 | 0.509 | -703.487 | -715.904 | 0.696 | -715.207 | 11.908 | -0.188 | 11.720 | 0.000 | 715.904 |