![]() |
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 | -398.9920226 | -399.0319578 | 0.0399352 | -398.9711646 | 0.0607932 | ||||||
cm-1 | 88.4 | 168.1 | -79.7 | ||||||||
eV | -10857.125 | 0.011 | -10857.114 | -10858.212 | 0.021 | -10858.191 | 1.087 | -0.010 | 1.077 | -10856.558 | 1.654 |