![]() |
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 | -260.1094608 | -260.4370904 | 0.3276296 | 0.0000000 | 260.4370904 | ||||||
cm-1 | 94.6 | 313.2 | -218.6 | ||||||||
eV | -7077.938 | 0.012 | -7077.927 | -7086.854 | 0.039 | -7086.815 | 8.915 | -0.027 | 8.888 | 0.000 | 7086.854 |