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Geometry for CH3F (Methyl fluoride) 1A1 C3V

1910171554
InChI=1S/CH3F/c1-2/h1H3 INChIKey=NBVXSUQYWXRMNV-UHFFFAOYSA-N

G2
This model chemistry uses a geometry from MP2=FULL/6-31G*


Point group is C3v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.6354
F2 0.0000 0.0000 0.7548
H3 0.0000 1.0313 -0.9934
H4 0.8931 -0.5157 -0.9934
H5 -0.8931 -0.5157 -0.9934
Atom - Atom Distances (Å)
  C1 F2 H3 H4 H5
C1 1.3902 1.0917 1.0917 1.0917
F2 1.3902 2.0297 2.0297 2.0297
H3 1.0917 2.0297 1.7863 1.7863
H4 1.0917 2.0297 1.7863 1.7863
H5 1.0917 2.0297 1.7863 1.7863
Maximum atom distance is 2.0297Å between atoms F2 and H4.
picture of Methyl fluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.