Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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You are here: Comparisons > Geometry > Bonds, angles > Core correlation - bond length |
3-21G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | cc-pVDZ | cc-pVQZ | aug-cc-pVDZ | cc-pV(D+d)Z | cc-pV(T+d)Z | ||
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Moller Plesset perturbation | MP2=FULL | -0.0000 | 0.0000 | 0.0006 | 0.0004 | -0.0006 | 0.0007 | 0.0312 | 0.0040 | 0.0009 | 0.0020 |
MP3=FULL | 0.0001 | 0.0009 | |||||||||
Coupled Cluster | CCSD(T)=FULL | 0.0005 | 0.0021 | ||||||||
3-21G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | cc-pVDZ | cc-pVQZ | aug-cc-pVDZ | cc-pV(D+d)Z | cc-pV(T+d)Z |