![]() |
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 | -14.8752558 | -15.1742652 | 0.2990094 | 0.0000000 | 15.1742652 | ||||||
cm-1 | 1076.1 | 1008.4 | 67.7 | ||||||||
eV | -404.776 | 0.133 | -404.643 | -412.913 | 0.125 | -412.788 | 8.136 | 0.008 | 8.145 | 0.000 | 412.913 |