![]() |
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 | -112.0237306 | -112.2802508 | 0.2565202 | 0.0000000 | 112.2802508 | ||||||
cm-1 | 3075.4 | 2679.2 | 396.2 | ||||||||
eV | -3048.321 | 0.381 | -3047.939 | -3055.301 | 0.332 | -3054.969 | 6.980 | 0.049 | 7.029 | 0.000 | 3055.301 |