![]() |
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 | -324.0600667 | -324.6153726 | 0.5553059 | 0.0000000 | 324.6153726 | ||||||
cm-1 | 2194.1 | 2630.1 | -436.0 | ||||||||
eV | -8818.123 | 0.272 | -8817.851 | -8833.234 | 0.326 | -8832.907 | 15.111 | -0.054 | 15.057 | 0.000 | 8833.234 |