![]() |
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 | -312.3661107 | -312.8408901 | 0.4747794 | 0.0000000 | 312.8408901 | ||||||
cm-1 | 2859.8 | 2892.2 | -32.4 | ||||||||
eV | -8499.914 | 0.355 | -8499.560 | -8512.834 | 0.359 | -8512.475 | 12.919 | -0.004 | 12.915 | 0.000 | 8512.834 |