Accuracy
6 Octadecane dimer
94 6 Octadecane dimer
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Geometry from the BEGDB - the Benchmark Energy and Geometry Database
ΔHf: -13.0 kcal/mol, REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
0SCF HTML
6 Octadecane dimer
H=-12.96+"6 Octadecane dimer separated.mop" HR=CCSDT HWT=5
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