![]() |
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 | -388.3143571 | -388.5682475 | 0.2538905 | 0.0000000 | 388.5682475 | ||||||
cm-1 | 497.3 | 415.1 | 82.2 | ||||||||
eV | -10566.571 | 0.062 | -10566.509 | -10573.480 | 0.051 | -10573.428 | 6.909 | 0.010 | 6.919 | 0.000 | 10573.480 |