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Geometry for (Methane, bromofluoro-) 1A' CS

1910171554
InChI=1S/CH2BrF/c2-1-3/h1H2 INChIKey=LHMHCLYDBQOYTO-UHFFFAOYSA-N

CCSD(T)=FULL/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5168 -1.1213 0.0000   -1.0667 0.6217 0.0000
F2 -0.5868 -1.9231 0.0000   -1.9704 -0.4002 0.0000
Br3 0.0000 0.7609 0.0000   0.7574 -0.0728 0.0000
H4 1.0902 -1.2976 0.9055   -1.1874 1.2093 0.9055
H5 1.0902 -1.2976 -0.9055   -1.1874 1.2093 -0.9055
Atom - Atom Distances (Å)
  C1 F2 Br3 H4 H5
C1 1.3642 1.9518 1.0862 1.0862
F2 1.3642 2.7474 2.0059 2.0059
Br3 1.9518 2.7474 2.4992 2.4992
H4 1.0862 2.0059 2.4992 1.8111
H5 1.0862 2.0059 2.4992 1.8111
Maximum atom distance is 2.7474Å between atoms F2 and Br3.
picture of Methane, bromofluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 Br3 110.645
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 H4 109.370 F2 C1 H5 109.370
Br3 C1 H4 107.236 Br3 C1 H5 107.236
H4 C1 H5 112.953

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