![]() |
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 | -15.4132917 | -15.8390494 | 0.4257577 | 0.0000000 | 15.8390494 | ||||||
cm-1 | 1863.5 | 2776.3 | -912.8 | ||||||||
eV | -419.417 | 0.231 | -419.186 | -431.002 | 0.344 | -430.658 | 11.585 | -0.113 | 11.472 | 0.000 | 431.002 |