![]() |
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 | -130.0597061 | -130.4258521 | 0.3661460 | 0.0000000 | 130.4258521 | ||||||
cm-1 | 2990.5 | 3036.2 | -45.7 | ||||||||
eV | -3539.105 | 0.371 | -3538.734 | -3549.068 | 0.376 | -3548.691 | 9.963 | -0.006 | 9.958 | 0.000 | 3549.068 |