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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 B2+ atoms 1 and 2

For B2+ (Boron diatomic 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 cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ aug-cc-pCVTZ
Moller Plesset perturbation MP2=FULL 0.0002 -0.0004 -0.0004 -0.0006 -0.7099 0.0026 0.0025 -0.7238 0.0038 0.0139 0.0020 0.0024 0.0222 0.0112 0.0020 0.0333 0.0127 0.0056
MP3=FULL         0.0026   0.0026       0.0019 0.0017 0.0241         0.0058
MP4=FULL   -0.0003     0.0028       0.0046     0.0024 0.0244   0.0026 0.0371   0.0056
B2PLYP=FULL 0.0000 -0.0003 -0.0003 -0.0003 0.0008 0.0008 0.0008 0.0012 0.0012 0.0045 0.0006 0.0008 0.0073   0.0008 0.0109   0.0016
Quadratic configuration interaction QCISD(T)=FULL         0.0034             0.0027 0.0264   0.0027 0.0393    
Coupled Cluster CCSD=FULL         0.0031         0.0142 0.0028 0.0025 0.0253 0.0125 0.0025 0.0383 0.0146 0.0068
CCSD(T)=FULL         0.0027           0.0029 0.0027 0.0265 0.0133 0.0027 0.0395 0.0157 0.0066
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 cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ aug-cc-pCVTZ

b2q1.gif