![]() |
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 | -896.9531998 | -897.2949275 | 0.3417278 | 0.0000000 | 897.2949275 | ||||||
cm-1 | 3728.0 | 3181.9 | 546.1 | ||||||||
eV | -24407.338 | 0.462 | -24406.876 | -24416.637 | 0.395 | -24416.242 | 9.299 | 0.068 | 9.367 | 0.000 | 24416.637 |