![]() |
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 | -957.4854618 | -957.7708070 | 0.2853452 | 0.0000000 | 957.7708070 | ||||||
cm-1 | 3744.1 | 3403.9 | 340.2 | ||||||||
eV | -26054.504 | 0.464 | -26054.040 | -26062.269 | 0.422 | -26061.847 | 7.765 | 0.042 | 7.807 | 0.000 | 26062.269 |