Pre-calculatied examples | |||
---|---|---|---|
Molecule | Geometry | Basis | Method |
C2 | r=1.2727322 ang | cc-pVDZ | HF |
N2 | r=1.12012918 ang | cc-pVDZ | HF |
Ne | aug-cc-pVDZ | HF, MP4, FCI | |
Ar | aug-cc-pVDZ | HF | |
BH | r=1.2332188 ang | aug-cc-pVQZ | HF |
CH2 | r=2.109997 theta=102.400167 | aug-cc-pVDZ | HF, MP4, FCI |