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Bond Length differences between FULL (all electrons correlated) and FROZEN core

Such as MP2=Frozen and MP2=Full
17 10 27 16 27

For B2 atoms 1 and 2

For B2 (Boron diatomic)
Bond length differences (full - frozen) in Å. Mouse over a difference for the bond length with full correlation.
Methods with standard basis sets
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ cc-pCVDZ cc-pCVTZ aug-cc-pCVTZ
Moller Plesset perturbation MP2=FULL 0.0002 0.0004 0.0004 0.0004 -0.0219 0.0024 0.0024 -0.0283 0.0014 0.0052 0.0018 0.0014 0.0086 0.0067 0.0015 0.0117 0.0069 0.0018 0.0038 0.0039
MP3=FULL         0.0258   0.0000       0.0017 0.0014 0.0091             0.0038
MP4=FULL   0.0004     0.0023       0.0013     0.0014 0.0093   0.0015 0.0104       0.0045
B2PLYP=FULL 0.0001 0.0001 0.0001 0.0001 0.0007 0.0007 0.0007 0.0004 0.0004 0.0015 0.0005 0.0004 -0.0252   0.0004 0.0028       0.0012
Quadratic configuration interaction QCISD(T)=FULL         0.0019             0.0014 0.0094   0.0015 0.0106        
Coupled Cluster CCSD=FULL         0.0023           0.0017 0.0014 0.0091 0.0067 0.0015 0.0102 0.0069     0.0033
CCSD(T)=FULL         0.0019           0.0017 0.0014 0.0094 0.0067 0.0015 0.0105 0.0065 0.0017 0.0035 0.0042
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ cc-pCVDZ cc-pCVTZ aug-cc-pCVTZ

b2q1.gif