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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 CaO atoms 1 and 2

For CaO (Calcium monoxide)
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 cc-pVDZ cc-pVTZ cc-pVQZ cc-pCVTZ
Moller Plesset perturbation MP2=FULL 0.0231 0.0146 0.0044 0.0000 0.0254 0.0002 0.0002 0.0738 0.0004 0.0005 0.0028 0.0145 0.0502 0.0740 0.0923 0.0871
MP3=FULL         -0.0139   0.0311       0.0020 0.0116 0.0311 0.0498   0.0578
MP4=FULL   0.0153     0.0002       0.0000   0.0003   -0.0031 -0.0041   -0.0011
B2PLYP=FULL 0.0024 0.0027 0.0025 0.0000 0.0000 0.0001 0.0000 -0.0000   0.0004 0.0007 0.0046 0.0117 0.0294   0.0218
Quadratic configuration interaction QCISD(T)=FULL                     -0.0049     0.1071   0.0889
Coupled Cluster CCSD=FULL         0.0003           0.0028 0.0199 0.0294 0.0509 0.0707 0.0632
CCSD(T)=FULL         -0.0002           0.0032 0.0307 -0.0636 0.0455 0.0780 0.0698
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 cc-pVDZ cc-pVTZ cc-pVQZ cc-pCVTZ

cao.gif