![]() |
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 | -957.5625880 | -957.8533247 | 0.2907366 | 0.0000000 | 957.8533247 | ||||||
cm-1 | 3752.5 | 3381.7 | 370.8 | ||||||||
eV | -26056.603 | 0.465 | -26056.138 | -26064.514 | 0.419 | -26064.095 | 7.911 | 0.046 | 7.957 | 0.000 | 26064.514 |