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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 BrF atoms 1 and 2

For BrF (Bromine monofluoride)
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 0.0000 0.0003 0.0003 0.0014 0.0028 0.0027 0.0031 -0.0006 0.0005 0.0111 0.0029 -0.0003 0.0008 0.0023 0.0012 0.0022 0.0071 0.0032 0.0024 0.0103
MP3=FULL         0.0013   0.0007       0.0026 -0.0003 0.0007 0.0021         0.0021 0.0095
MP4=FULL   0.0003     0.0029       0.0002   0.0031   0.0010 0.0026   0.0025 0.0079   0.0031 0.0111
B2PLYP=FULL 0.0000 -0.0014 0.0001 0.0005 0.0024 0.0008 0.0004 0.0001 0.0000 0.0032 0.0009 -0.0001 0.0003 0.0012   0.0007 0.0027   0.0007 0.0036
Quadratic configuration interaction QCISD(T)=FULL         0.0030           0.0030   0.0010 0.0024   0.0023 0.0075   0.0025 0.0105
Coupled Cluster CCSD=FULL         0.0043         0.0103 0.0031 0.0002 0.0009 0.0024 0.0016 0.0022 0.0071 0.0034 0.0024 0.0100
CCSD(T)=FULL         0.0029           0.0028 -0.0001 0.0009 0.0024 0.0016 0.0022 0.0074 0.0032 0.0025 0.0105
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

brfq1.gif