![]() |
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 | -124.2730849 | -124.6729157 | 0.3998308 | 0.0000000 | 124.6729157 | ||||||
cm-1 | 811.6 | 671.4 | 140.2 | ||||||||
eV | -3381.643 | 0.101 | -3381.542 | -3392.523 | 0.083 | -3392.439 | 10.880 | 0.017 | 10.897 | 0.000 | 3392.523 |