![]() |
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 | -15.3539471 | -15.7756275 | 0.4216803 | 0.0000000 | 15.7756275 | ||||||
cm-1 | 1860.7 | 2756.2 | -895.5 | ||||||||
eV | -417.802 | 0.231 | -417.571 | -429.277 | 0.342 | -428.935 | 11.475 | -0.111 | 11.363 | 0.000 | 429.277 |