![]() |
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 | -111.4826113 | -111.7687603 | 0.2861490 | 0.0000000 | 111.7687603 | ||||||
cm-1 | 10965.2 | 11317.3 | -352.0 | ||||||||
eV | -3033.596 | 1.360 | -3032.237 | -3041.383 | 1.403 | -3039.979 | 7.787 | -0.044 | 7.743 | 0.000 | 3041.383 |