![]() |
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 | -405.3586760 | -405.6452825 | 0.2866065 | 0.0000000 | 405.6452825 | ||||||
cm-1 | 154.1 | 271.5 | -117.4 | ||||||||
eV | -11030.371 | 0.019 | -11030.351 | -11038.169 | 0.034 | -11038.136 | 7.799 | -0.015 | 7.784 | 0.000 | 11038.169 |