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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 MgH atoms 1 and 2

For MgH (magnesium monohydride)
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) 6-311+G(3df,2p) TZVP Def2TZVPP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ daug-cc-pVDZ daug-cc-pVTZ
Moller Plesset perturbation MP2=FULL -0.0013 -0.0008 0.0004 -0.0008 0.0000 0.0004 0.0003 -0.0002 0.0001 0.0033 0.0029 0.0007 0.0085 0.0000 0.0086 0.0117 0.0047 0.0160 0.0157 0.0062 0.0063
MP3=FULL         0.0010   0.0003       0.0030 0.0007 0.0078 -0.0002 0.0088         0.0054 0.0065
MP4=FULL   -0.0006     0.0003       -0.0001   0.0037     -0.0003 0.0103   0.0043 0.0183   0.0053 0.0081
B2PLYP=FULL -0.0005 -0.0002 0.0001 -0.0003 -0.0004 0.0001 0.0003 -0.0003   0.0017 0.0010 0.0002 0.0018 -0.0001 0.0050   0.0015 0.0056   0.0018 0.0027
Quadratic configuration interaction QCISD(T)=FULL         0.0000   0.0008       0.0033   0.0073 -0.0004 0.0105   0.0052 0.0186   0.0061 0.0079
Coupled Cluster CCSD=FULL         0.0005         0.0037 0.0037 0.0012 0.0073 -0.0003 0.0105 0.0134 0.0045 0.0185 0.0176 0.0055 0.0084
CCSD(T)=FULL         0.0001           0.0033 0.0008 0.0072 -0.0011 0.0103 0.0139 0.0050 0.0189 0.0186 0.0060 0.0079
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) 6-311+G(3df,2p) TZVP Def2TZVPP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ daug-cc-pVDZ daug-cc-pVTZ

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