![]() |
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 | -796.0463312 | -796.3909140 | 0.3445828 | 0.0000000 | 796.3909140 | ||||||
cm-1 | 371.0 | 314.7 | 56.3 | ||||||||
eV | -21661.522 | 0.046 | -21661.476 | -21670.899 | 0.039 | -21670.860 | 9.377 | 0.007 | 9.384 | 0.000 | 21670.899 |