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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)
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 0.0000 -0.0002 0.0011 -0.0003 0.0206 0.0050 0.0051 0.0135 0.0042 0.0100 0.0111 -0.0003 0.0009 0.0049 0.0042 -0.0003 0.0103 0.0048 -0.0002 0.0115
MP3=FULL         -0.0102   0.0043       0.0084 -0.0006 0.0007 0.0041         -0.0004 0.0101
MP4=FULL   -0.0001     0.0057       0.0037   0.0098   0.0011 0.0063   -0.0002 0.0107   -0.0001 0.0122
B2PLYP=FULL 0.0000 -0.0001 0.0003 -0.0000 0.0016 0.0016 0.0016 0.0012 0.0012 0.0028 0.0034 -0.0000 0.0003 0.0077   -0.0001 0.0031   -0.0000 0.0036
Quadratic configuration interaction QCISD(T)=FULL         0.0053           0.0101   0.0011 0.0054   -0.0002 0.0106   -0.0000 0.0121
Coupled Cluster CCSD=FULL         0.0053         0.0095 0.0102 0.0006 0.0011 0.0050 0.0040 -0.0001 0.0098 0.0046 0.0000 0.0112
CCSD(T)=FULL         0.0053           0.0100 0.0010 0.0006 0.0060 0.0048 -0.0009 0.0109 0.0065 -0.0001 0.0120
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