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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 ScH+ atoms 1 and 2

For ScH+ (Scandium monohydride cation)
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 aug-cc-pVDZ aug-cc-pVTZ
Moller Plesset perturbation MP2=FULL -0.0035 0.0295 0.0295 0.0315 0.0297 0.0408 0.0456 0.0438 0.0469 0.0359 0.0601 0.0478 0.0604 0.0822 0.0832
MP3=FULL         0.0230   0.0363       0.0489 0.0407 0.0488    
MP4=FULL   0.0232     0.0220       0.0356     0.0375 0.0485 0.0733 0.0705
B2PLYP=FULL -0.0015 0.0063 0.0063 0.0077 0.0082 0.0112 0.0126 0.0129 0.0144 0.0105 0.0169 0.0132 0.0178 0.0245 0.0245
Quadratic configuration interaction QCISD(T)=FULL         0.0177             0.0314 0.0425 0.0681 0.0648
Coupled Cluster CCSD=FULL         0.0185         0.0243 0.0372 0.0320 0.0417 0.0679 0.0638
CCSD(T)=FULL         0.0178           0.0371 0.0316 0.0427 0.0683 0.0648
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 aug-cc-pVDZ aug-cc-pVTZ

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