![]() |
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 | -2690.2592651 | -2690.6263767 | 0.3671116 | 0.0000000 | 2690.6263767 | ||||||
cm-1 | 280.5 | 282.2 | -1.7 | ||||||||
eV | -73205.678 | 0.035 | -73205.643 | -73215.667 | 0.035 | -73215.632 | 9.990 | -0.000 | 9.989 | 0.000 | 73215.667 |