2-pyridoxine 2-aminopyridine complex |
MP2/cc-pVTZ CP |
-16.71 |
-17.37 |
Adenine thymine complex stack |
MP2/cc-pVTZ CP |
-12.23 |
-14.93 |
Adenine thymine Watson-Crick complex |
MP2/cc-pVTZ CP |
-16.37 |
-16.54 |
Ammonia dimer |
CCSD(T)/cc-pVQZ noCP |
-3.17 |
-3.2 |
Benzene - Methane complex |
MP2/cc-pVTZ CP |
-1.5 |
-1.86 |
Benzene ammonia complex |
MP2/cc-pVTZ CP |
-2.35 |
-2.72 |
Benzene dimer parallel displaced |
MP2/cc-pVTZ CP |
-2.73 |
-4.95 |
Benzene dimer T-shaped |
MP2/cc-pVTZ CP |
-2.74 |
-3.62 |
Benzene HCN complex |
MP2/cc-pVTZ CP |
-4.46 |
-5.16 |
Benzene water complex |
MP2/cc-pVTZ CP |
-3.28 |
-3.61 |
Ethene dimer |
CCSD(T)/cc-pVQZ noCP |
-1.51 |
-1.62 |
Ethene ethyne complex |
CCSD(T)/cc-pVQZ noCP |
-1.53 |
-1.69 |
Formamide dimer |
MP2/cc-pVTZ noCP |
-15.96 |
-15.86 |
Formic acid dimer |
CCSD(T)/cc-pVTZ noCP |
-18.61 |
-18.6 |
Indole benzene complex stack |
MP2/cc-pVTZ CP |
-5.22 |
-8.12 |
Indole benzene T-shape complex |
MP2/cc-pVTZ CP |
-5.73 |
-7.03 |
Methane dimer |
CCSD(T)/cc-pVTZ noCP |
-0.53 |
-0.51 |
Phenol dimer |
MP2/cc-pVTZ CP |
-7.05 |
-7.76 |
Pyrazine dimer |
MP2/cc-pVTZ CP |
-4.42 |
-6.9 |
Uracil dimer h-bonded |
MP2/cc-pVTZ CP |
-20.47 |
-20.43 |
Uracil dimer stack |
MP2/cc-pVTZ CP |
-9.88 |
-11.15 |
Water dimer |
CCSD(T)/cc-pVQZ noCP |
-5.02 |
-5.03 |