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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 NaAl atoms 1 and 2

For NaAl (Sodium aluminum)
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 aug-cc-pCVTZ
Moller Plesset perturbation MP2=FULL 0.0047 0.0001 0.0093 0.0022 0.0176 0.0176 0.0142 0.0209 0.0209 0.0608 0.0099 0.0062 0.0483 0.0997 0.0110 0.0485 0.1869 0.0469 0.0485
MP3=FULL         0.0169   0.0135       0.0060 0.0065 0.0479         0.0397 0.0414
MP4=FULL   0.0004     0.0175       0.0199     0.0067 0.0496   0.0103 0.0508   0.0405 0.0426
B2PLYP=FULL 0.0012 -0.0000 0.0033 0.0007 0.0062 0.0062 0.0051 0.0074 0.0074 0.0209 0.0031 0.0023 0.0160   0.0040 0.0161   0.0150 0.0156
Quadratic configuration interaction QCISD(T)=FULL         0.0177             0.0068 0.0505   0.0105 0.0506   0.0357 0.0378
Coupled Cluster CCSD=FULL         0.0168         0.0587 0.0062 0.0061 0.0481 0.1003 0.0097 0.0479 0.1875 0.0340 0.0356
CCSD(T)=FULL         0.0175           0.0054 0.0067 0.0499 0.1058 0.0103 0.0501 0.1958 0.0352 0.0372
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 aug-cc-pCVTZ

naal.gif