![]() |
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 | -115.7352156 | -116.0536283 | 0.3184127 | 0.0000000 | 116.0536283 | ||||||
cm-1 | 9023.8 | 8675.0 | 348.7 | ||||||||
eV | -3149.315 | 1.119 | -3148.197 | -3157.980 | 1.076 | -3156.904 | 8.664 | 0.043 | 8.708 | 0.000 | 3157.980 |