Accuracy
09_Ethylene_dimer
9 09 Ethylene dimer
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Geometry from the BEGDB - the Benchmark Energy and Geometry Database
ΔHf: -1.5 kcal/mol, REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
PM7
09 Ethylene dimer
H=-1.51+"09_ETHYLENE_DIMER_WELL_SEPARATED" HR=CCSDT HWT=5
C -0.47192500 +0 -0.47192500 +0 -1.85911100 +0
C 0.47192500 +0 0.47192500 +0 -1.85911100 +0
H -0.87242200 +0 -0.87242200 +0 -0.93612500 +0
H 0.87242200 +0 0.87242200 +0 -0.93612500 +0
H -0.87046400 +0 -0.87046400 +0 -2.78330800 +0
H 0.87046400 +0 0.87046400 +0 -2.78330800 +0
C -0.47192500 +0 0.47192500 +0 1.85911100 +0
C 0.47192500 +0 -0.47192500 +0 1.85911100 +0
H -0.87242200 +0 0.87242200 +0 0.93612500 +0
H 0.87242200 +0 -0.87242200 +0 0.93612500 +0
H -0.87046400 +0 0.87046400 +0 2.78330800 +0
H 0.87046400 +0 -0.87046400 +0 2.78330800 +0