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

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

BLYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5114 -1.1499 0.0000   -1.1928 0.4013 0.0000
F2 -0.5955 -2.0111 0.0000   -1.9464 -0.7815 0.0000
Br3 0.0000 0.7894 0.0000   0.7860 0.0740 0.0000
H4 1.1458 -1.3153 0.9180   -1.4170 1.0174 0.9180
H5 1.1458 -1.3153 -0.9180   -1.4170 1.0174 -0.9180
Atom - Atom Distances (Å)
  C1 F2 Br3 H4 H5
C1 1.4025 2.0056 1.1281 1.1281
F2 1.4025 2.8632 2.0878 2.0878
Br3 2.0056 2.8632 2.5662 2.5662
H4 1.1281 2.0878 2.5662 1.8360
H5 1.1281 2.0878 2.5662 1.8360
Maximum atom distance is 2.8632Å 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 113.111
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 H4 110.720 F2 C1 H5 110.720
Br3 C1 H4 106.570 Br3 C1 H5 106.570
H4 C1 H5 108.934

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