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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 Br2+ atoms 1 and 2

For Br2+ (bromine 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) 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 0.0001 -0.0003 0.0010 -0.0006 0.0016 0.0043 0.0043 0.0001 0.0035 0.0104 0.0099 -0.0012 0.0010 0.0040 0.0036 -0.0001 0.0089 0.0045 -0.0002 0.0099
MP3=FULL         0.0046   0.0048       0.0081 -0.0013 0.0008 0.0036         -0.0003 0.0085
MP4=FULL   0.0007     0.0045       0.0021   0.0093   0.0011 0.0044   -0.0002 0.0086   -0.0000 0.0104
B2PLYP=FULL 0.0000 -0.0001 0.0003 -0.0001 0.0014 0.0014 0.0013 0.0009 0.0009 0.0027 0.0029 -0.0003 0.0003 0.0013   -0.0000 0.0027   -0.0000 0.0031
Quadratic configuration interaction QCISD(T)=FULL         0.0047           0.0078   0.0007 0.0050   -0.0003 0.0096   -0.0001 0.0099
Coupled Cluster CCSD=FULL         0.0046         0.0093 0.0091 -0.0002 0.0011 0.0035 0.0037 0.0001 0.0083 0.0045 0.0001 0.0097
CCSD(T)=FULL         0.0044           0.0077 -0.0005 0.0007 0.0049 0.0037 -0.0003 0.0095 0.0037 -0.0002 0.0098
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

br2q1.gif