Accuracy
39 methanol - fluoromethane
158 39 methanol - fluoromethane
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Geometry from the BEGDB - the Benchmark Energy and Geometry Database
ΔHf: -3.5 kcal/mol, REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
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39 methanol - fluoromethane
H=-3.538+"39 methanol - fluoromethane separated.mop" HR=CCSDT HWT=1
H 0.85517134 +0 -0.00000812 +0 -0.58878626 +0
O 0.27154607 +1 0.00001636 +0 0.17559251 +0
C 1.08405045 +0 0.00000181 +1 1.33525199 +0
H 0.41783161 +0 -0.00000249 +0 2.19298476 +0
H 1.71848957 +0 -0.88631295 +0 1.39803553 +0
H 1.71849855 +0 0.88630924 +0 1.39805041 +0
F 1.12585715 +0 0.00000420 +0 -2.56157620 +0
C -0.18463733 +0 -0.00000145 +0 -3.02541578 +0
H -0.16692858 +0 -0.00000181 +0 -4.11097806 +0
H -0.68609807 +0 -0.88858007 +0 -2.65473700 +0
H -0.68610512 +0 0.88857334 +0 -2.65473743 +0