![]() |
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 | -75.8735982 | -76.2385592 | 0.3649610 | 0.0000000 | 76.2385592 | ||||||
cm-1 | 5777.7 | 6378.3 | -600.5 | ||||||||
eV | -2064.626 | 0.716 | -2063.909 | -2074.557 | 0.791 | -2073.766 | 9.931 | -0.074 | 9.857 | 0.000 | 2074.557 |