![]() |
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 | -29.2006275 | -29.5216609 | 0.3210334 | 0.0000000 | 29.5216609 | ||||||
cm-1 | 3830.9 | 4526.1 | -695.3 | ||||||||
eV | -794.589 | 0.475 | -794.115 | -803.325 | 0.561 | -802.764 | 8.736 | -0.086 | 8.650 | 0.000 | 803.325 |