Dimer | Value | Our Approach | FHI96md Code |
B2 | d | 1.8 | 1.63 |
Eb | 2.1 | 1.88 | |
C2 | d | 1.3 | 1.26 |
Eb | 5.1 | 4.82 | |
N2 | d | 1.2 | 1.13 |
Eb | 11.7 | 12.56 | |
O2 | d | 1.2 | 1.16 |
Eb | 6.3 | 7.30 |