![]() |
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 | -5147.2647153 | -5147.6502617 | 0.3855464 | 0.0000000 | 5147.6502617 | ||||||
cm-1 | 184.0 | 164.6 | 19.4 | ||||||||
eV | -140064.196 | 0.023 | -140064.173 | -140074.687 | 0.020 | -140074.667 | 10.491 | 0.002 | 10.494 | 0.000 | 140074.687 |