![]() |
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 | -405.1959816 | -405.4829489 | 0.2869673 | 0.0000000 | 405.4829489 | ||||||
cm-1 | 159.9 | 276.7 | -116.8 | ||||||||
eV | -11025.943 | 0.020 | -11025.924 | -11033.752 | 0.034 | -11033.718 | 7.809 | -0.014 | 7.794 | 0.000 | 11033.752 |