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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 LiO atoms 1 and 2

For LiO (lithium oxide)
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 cc-pCVTZ
Moller Plesset perturbation MP2=FULL -0.0060 0.0009 -0.1258 -0.1128 0.0033 0.0057 0.0294 0.0771 0.0042 -0.0884 0.0014 0.0014 0.0405 0.0151 0.0376 -0.0212 0.0223 0.0093
MP3=FULL         0.0318   0.0228       0.0014 0.0013 0.0099         0.0094
MP4=FULL   0.0003     -0.0948       0.0047     0.0014 0.0105   0.0460 0.0204   0.0097
B2PLYP=FULL -0.0000 -0.0069 0.0001 0.0002 -0.0004 0.0013 0.0064 0.0014 0.0014 0.0015 0.0004 0.0005 -0.0271   0.0119 0.0059   0.0028
Quadratic configuration interaction QCISD(T)=FULL         -0.0967             0.0014 0.0104   0.0459 0.0203   0.0095
Coupled Cluster CCSD=FULL         -0.0954         0.0046 0.0014 0.0014 0.0100 0.0161 0.0440 0.0202 0.0239 0.0092
CCSD(T)=FULL         -0.0966           0.0015 0.0014 0.0104 0.0167 0.0456 0.0203 0.0247 0.0095
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 cc-pCVTZ

lioq1.gif