Accuracy
01 Methane - F2
120 01 Methane - F2
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Geometry from the BEGDB - the Benchmark Energy and Geometry Database
ΔHf: -0.5 kcal/mol, REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
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01 Methane - F2
H=-0.481+"01 Methane - F2 separated.mop" HR=CCSDT HWT=5
C -0.09977914 +0 -0.04921311 +0 -0.04980981 +0
H -0.81238351 +1 0.76943790 +0 -0.05381478 +0
H -0.38662616 +0 -0.77392818 +1 0.70576811 +0
H 0.89055186 +0 0.33366382 +0 0.17522108 +0
H -0.08982648 +0 -0.52417204 +0 -1.02586099 +0
F -1.05504979 +0 -3.07255785 +0 -0.60170588 +0
F -1.47160201 +0 -4.38724337 +0 -0.83537877 +0