![]() |
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 | -26.0076310 | -26.3845780 | 0.3769471 | 0.0000000 | 26.3845780 | ||||||
cm-1 | 2871.9 | 2947.7 | -75.7 | ||||||||
eV | -707.704 | 0.356 | -707.348 | -717.961 | 0.365 | -717.595 | 10.257 | -0.009 | 10.248 | 0.000 | 717.961 |