![]() |
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 | -2151.1760211 | -2151.3331993 | 0.1571782 | 0.0000000 | 2151.3331993 | ||||||
cm-1 | 352.9 | 318.5 | 34.4 | ||||||||
eV | -58536.476 | 0.044 | -58536.433 | -58540.753 | 0.039 | -58540.714 | 4.277 | 0.004 | 4.281 | 0.000 | 58540.753 |