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Geometry for CH2BrF (Methane, bromofluoro-) 1A' CS

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

B97D3/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5216 -1.1301 0.0000   -1.1734 0.4151 0.0000
F2 -0.5906 -1.9436 0.0000   -1.8808 -0.7674 0.0000
Br3 0.0000 0.7679 0.0000   0.7647 0.0709 0.0000
H4 1.0929 -1.3027 0.9160   -1.3980 0.9681 0.9160
H5 1.0929 -1.3027 -0.9160   -1.3980 0.9681 -0.9160
Atom - Atom Distances (Å)
  C1 F2 Br3 H4 H5
C1 1.3780 1.9684 1.0933 1.0933
F2 1.3780 2.7751 2.0209 2.0209
Br3 1.9684 2.7751 2.5142 2.5142
H4 1.0933 2.0209 2.5142 1.8320
H5 1.0933 2.0209 2.5142 1.8320
Maximum atom distance is 2.7751Å 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 110.813
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 H4 109.185 F2 C1 H5 109.185
Br3 C1 H4 106.898 Br3 C1 H5 106.898
H4 C1 H5 113.831

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