![]() |
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 | -894.3962786 | -894.8326630 | 0.4363844 | 0.0000000 | 894.8326630 | ||||||
cm-1 | 2972.5 | 3129.6 | -157.1 | ||||||||
eV | -24337.760 | 0.369 | -24337.392 | -24349.635 | 0.388 | -24349.247 | 11.875 | -0.019 | 11.855 | 0.000 | 24349.635 |