![]() |
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 | -323.5359676 | -323.6817156 | 0.1457480 | 0.0000000 | 323.6817156 | ||||||
cm-1 | 54.6 | 71.1 | -16.4 | ||||||||
eV | -8803.861 | 0.007 | -8803.855 | -8807.827 | 0.009 | -8807.819 | 3.966 | -0.002 | 3.964 | 0.000 | 8807.827 |