![]() |
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 | -323.4622454 | -324.0210681 | 0.5588227 | 0.0000000 | 324.0210681 | ||||||
cm-1 | 2195.5 | 2665.2 | -469.7 | ||||||||
eV | -8801.855 | 0.272 | -8801.583 | -8817.062 | 0.330 | -8816.731 | 15.206 | -0.058 | 15.148 | 0.000 | 8817.062 |