![]() |
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 | -397.8522810 | -398.2199145 | 0.3676334 | 0.0000000 | 398.2199145 | ||||||
cm-1 | 1264.5 | 1333.3 | -68.8 | ||||||||
eV | -10826.111 | 0.157 | -10825.954 | -10836.115 | 0.165 | -10835.950 | 10.004 | -0.009 | 9.995 | 0.000 | 10836.115 |