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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 BrCl atoms 1 and 2

For BrCl (Bromine monochloride)
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 aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ daug-cc-pVDZ daug-cc-pVTZ
Moller Plesset perturbation MP2=FULL 0.0001 -0.0004 0.0005 -0.0006 0.0027 0.0021 0.0021 0.0081 0.0020 0.0120 0.0077 0.0001 0.0006 0.0048 0.0034 -0.0000 0.0076 0.0046 0.0002 0.0090
MP3=FULL         -0.0075   0.0042       0.0060 -0.0001 0.0004 0.0037         0.0001 0.0081
MP4=FULL   -0.0003     0.0025       0.0015   0.0072   0.0007 0.0044   -0.0001 0.0062   0.0004 0.0083
B2PLYP=FULL 0.0000 0.0003 0.0002 -0.0001 0.0096 0.0007 0.0007 0.0006 0.0006 0.0025 0.0023 0.0001 0.0002 0.0054   0.0000 0.0022   0.0001 0.0027
Quadratic configuration interaction QCISD(T)=FULL         0.0025           0.0071   0.0007 0.0045   0.0002 0.0078   0.0003 0.0084
Coupled Cluster CCSD=FULL         0.0121         0.0092 0.0069 0.0009 0.0008 0.0045 0.0040 0.0002 0.0073 0.0045 0.0004 0.0089
CCSD(T)=FULL         0.0024           0.0071 0.0005 0.0007 0.0044 0.0034 -0.0000 0.0078 0.0046 0.0003 0.0084
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 aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ daug-cc-pVDZ daug-cc-pVTZ

brclq1.gif