![]() |
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 | -289.6883785 | -289.9807275 | 0.2923489 | 0.0000000 | 289.9807275 | ||||||
cm-1 | 1048.6 | 984.5 | 64.1 | ||||||||
eV | -7882.822 | 0.130 | -7882.692 | -7890.777 | 0.122 | -7890.655 | 7.955 | 0.008 | 7.963 | 0.000 | 7890.777 |