![]() |
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 | -537.8006291 | -538.1443296 | 0.3437005 | 0.0000000 | 538.1443296 | ||||||
cm-1 | 1156.3 | 1024.6 | 131.7 | ||||||||
eV | -14634.299 | 0.143 | -14634.156 | -14643.652 | 0.127 | -14643.525 | 9.353 | 0.016 | 9.369 | 0.000 | 14643.652 |