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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 SBr atoms 1 and 2

For SBr (Sulfur monobromide radical)
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 cc-pV(T+d)Z daug-cc-pVDZ daug-cc-pVTZ
Moller Plesset perturbation MP2=FULL 0.0002 -0.0001 0.0006 -0.0001 0.0030 0.0030 0.0029 0.0020 0.0020 0.0130 0.0062 0.0000 0.0012 0.0054 0.0043 0.0004 0.0100 0.0053 0.0066 0.0003 0.0110
MP3=FULL                                     0.0054    
MP4=FULL                                     0.0060    
B2PLYP=FULL 0.0001 -0.0001 0.0004 -0.0001 0.0009 0.0009 0.0009 0.0005 0.0005 0.0034 0.0019 0.0001 0.0004 0.0017   0.0001 0.0030   0.0020 0.0001 0.0033
Quadratic configuration interaction QCISD(T)=FULL         0.0032           0.0053   0.0013 0.0058   0.0003 0.0102   0.0060 0.0003 0.0125
Coupled Cluster CCSD=FULL         0.0032         0.0123 0.0061 0.0005 0.0012 0.0055 0.0048 0.0004 0.0097 0.0045 0.0065 0.0003 0.0107
CCSD(T)=FULL         0.0032           0.0052 0.0003 0.0012 0.0057 0.0034 0.0003 0.0102 0.0056 0.0059 0.0003 0.0114
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 cc-pV(T+d)Z daug-cc-pVDZ daug-cc-pVTZ

sbrq1.gif