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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 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) 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 0.0004 0.0000 0.0012 0.0003 0.0024 0.0024 0.0023 0.0014 0.0014 0.0103 0.0047 -0.0006 0.0012 0.0037 0.0029 0.0008 0.0075 0.0040 0.0007 0.0079
B2PLYP=FULL 0.0001 -0.0001 0.0004 -0.0000 0.0008 0.0008 0.0007 0.0003 0.0003 0.0034 0.0015 -0.0002 0.0004 0.0012   0.0002 0.0024   0.0002 0.0025
Quadratic configuration interaction QCISD(T)=FULL         0.0031           0.0049   0.0015 0.0044   0.0003 0.0087   0.0007 0.0090
Coupled Cluster CCSD=FULL         0.0028         0.0102 0.0051 -0.0004 0.0013 0.0041 0.0031 0.0007 0.0077 0.0041 0.0006 0.0082
CCSD(T)=FULL         0.0028           0.0047 -0.0005 0.0013 0.0041 0.0030 0.0001 0.0078 0.0040 0.0001 0.0085
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

sbrq1.gif