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  Dataset name: S22 – benchmark noncovalent complexes
system name
optimization level
CCSD(T) /CBS CP
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MP2 /CBS CP
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2-pyridoxine 2-aminopyridine complex
MP2/cc-pVTZ CP
Adenine thymine complex stack
MP2/cc-pVTZ CP
Adenine thymine Watson-Crick complex
MP2/cc-pVTZ CP
Ammonia dimer
CCSD(T)/cc-pVQZ noCP
Benzene - Methane complex
MP2/cc-pVTZ CP
Benzene ammonia complex
MP2/cc-pVTZ CP
Benzene dimer parallel displaced
MP2/cc-pVTZ CP
Benzene dimer T-shaped
MP2/cc-pVTZ CP
Benzene HCN complex
MP2/cc-pVTZ CP
Benzene water complex
MP2/cc-pVTZ CP
Ethene dimer
CCSD(T)/cc-pVQZ noCP
Ethene ethyne complex
CCSD(T)/cc-pVQZ noCP
Formamide dimer
MP2/cc-pVTZ noCP
Formic acid dimer
CCSD(T)/cc-pVTZ noCP
Indole benzene complex stack
MP2/cc-pVTZ CP
Indole benzene T-shape complex
MP2/cc-pVTZ CP
Methane dimer
CCSD(T)/cc-pVTZ noCP
Phenol dimer
MP2/cc-pVTZ CP
Pyrazine dimer
MP2/cc-pVTZ CP
Uracil dimer h-bonded
MP2/cc-pVTZ CP
Uracil dimer stack
MP2/cc-pVTZ CP
Water dimer
CCSD(T)/cc-pVQZ noCP