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Geometry for C2H5Br (Ethyl bromide) 1A' CS

1910171554
InChI=1S/C2H5Br/c1-2-3/h2H2,1H3 INChIKey=RDHPKYGYEGBMSE-UHFFFAOYSA-N

B97D3/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5789 -2.0465 0.0000   -2.0001 -0.7232 0.0000
C2 0.6060 -1.0960 0.0000   -1.1364 0.5264 0.0000
Br3 0.0000 0.8036 0.0000   0.8016 0.0573 0.0000
H4 1.2285 -1.1930 0.8951   -1.2775 1.1403 0.8951
H5 1.2285 -1.1930 -0.8951   -1.2775 1.1403 -0.8951
H6 -0.2120 -3.0861 0.0000   -3.0631 -0.4313 0.0000
H7 -1.2039 -1.8996 0.8905   -1.8089 -1.3362 0.8905
H8 -1.2039 -1.8996 -0.8905   -1.8089 -1.3362 -0.8905
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5190 2.9083 2.1900 2.1900 1.1024 1.0978 1.0978
C2 1.5190 1.9940 1.0946 1.0946 2.1516 2.1712 2.1712
Br3 2.9083 1.9940 2.5093 2.5093 3.8954 3.0902 3.0902
H4 2.1900 1.0946 2.5093 1.7902 2.5416 2.5329 3.0990
H5 2.1900 1.0946 2.5093 1.7902 2.5416 3.0990 2.5329
H6 1.1024 2.1516 3.8954 2.5416 2.5416 1.7845 1.7845
H7 1.0978 2.1712 3.0902 2.5329 3.0990 1.7845 1.7809
H8 1.0978 2.1712 3.0902 3.0990 2.5329 1.7845 1.7809
Maximum atom distance is 3.8954Å between atoms Br3 and H6.
picture of Ethyl bromide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Br3 111.044
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.841 C1 C2 H5 112.841
C2 C1 H6 109.296 C2 C1 H7 111.120
C2 C1 H8 111.120 Br3 C2 H4 104.906
Br3 C2 H5 104.906 H4 C2 H5 109.722
H6 C1 H7 108.406 H6 C1 H8 108.406
H7 C1 H8 108.413

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