![]() |
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 | -110.2834803 | -110.6389344 | 0.3554542 | 0.0000000 | 110.6389344 | ||||||
cm-1 | 5507.1 | 6047.9 | -540.8 | ||||||||
eV | -3000.966 | 0.683 | -3000.283 | -3010.639 | 0.750 | -3009.889 | 9.672 | -0.067 | 9.605 | 0.000 | 3010.639 |