![]() |
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 | -212.5743341 | -212.9009489 | 0.3266148 | 0.0000000 | 212.9009489 | ||||||
cm-1 | 2384.5 | 1742.6 | 641.9 | ||||||||
eV | -5784.442 | 0.296 | -5784.146 | -5793.329 | 0.216 | -5793.113 | 8.888 | 0.080 | 8.967 | 0.000 | 5793.329 |