![]() |
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 | -3.5011698 | -3.7788862 | 0.2777163 | 0.0000000 | 3.7788862 | ||||||
cm-1 | 3776.3 | 3022.4 | 753.9 | ||||||||
eV | -95.272 | 0.468 | -94.803 | -102.829 | 0.375 | -102.454 | 7.557 | 0.093 | 7.651 | 0.000 | 102.829 |