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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 BBr atoms 1 and 2

For BBr (Boron monobromide)
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
Moller Plesset perturbation MP2=FULL 0.0001 -0.0002 0.0010 0.0016 -0.0003 0.0053 0.0051 0.0021 0.0041 0.0153 0.0002 0.0023 0.0118 0.0068 0.0027 0.0189 0.0074
MP4=FULL   -0.0001     0.0055       0.0036     0.0024 0.0126   0.0027 0.0202  
Coupled Cluster CCSD=FULL         0.0056           0.0006 0.0024 0.0126 0.0074 0.0027 0.0199 0.0079
CCSD(T)=FULL         0.0056           0.0005 0.0025 0.0127 0.0073 0.0028 0.0202 0.0072
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

bbr.gif