Accuracy
02 Methane - Cl2
121 02 Methane - Cl2
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Geometry from the BEGDB - the Benchmark Energy and Geometry Database
ΔHf: -1.0 kcal/mol, REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
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02 Methane - Cl2
H=-1.002+"02 Methane - Cl2 separated.mop" HR=CCSDT HWT=5
C -0.02922300 +0 -0.30433400 +0 -0.04413900 +0
Cl -2.19028539 +1 -2.63668492 +0 -0.98170313 +0
Cl -3.49271439 +0 -4.04340692 +1 -1.54624613 +0
H -1.01396300 +0 0.14062500 +0 -0.15039000 +0
H -0.06119000 +0 -1.08646300 +0 0.70835100 +0
H 0.67830400 +0 0.45965600 +0 0.26253500 +0
H 0.28607700 +0 -0.72454300 +0 -0.99440300 +0