![]() |
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 |
semi-empirical | AM1 | |
---|---|---|
PM3 | ||
PM6 | ||
composite | G1 | 11.767 |
G2MP2 | 11.671 | |
G2 | 11.743 | |
G3 | 11.794 | |
G3B3 | 11.807 | |
G3MP2 | 11.791 | |
G4 | 11.799 | |
CBS-Q | 11.877 |