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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

B3PW91/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5741 -2.0306 0.0000   -1.9856 -0.7141 0.0000
C2 0.6004 -1.0768 0.0000   -1.1160 0.5240 0.0000
Br3 0.0000 0.7953 0.0000   0.7934 0.0554 0.0000
H4 1.2220 -1.1770 0.8901   -1.2592 1.1371 0.8901
H5 1.2220 -1.1770 -0.8901   -1.2592 1.1371 -0.8901
H6 -0.2064 -3.0637 0.0000   -3.0419 -0.4192 0.0000
H7 -1.1977 -1.8874 0.8859   -1.7994 -1.3263 0.8859
H8 -1.1977 -1.8874 -0.8859   -1.7994 -1.3263 -0.8859
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5130 2.8836 2.1787 2.1787 1.0966 1.0928 1.0928
C2 1.5130 1.9660 1.0902 1.0902 2.1445 2.1623 2.1623
Br3 2.8836 1.9660 2.4851 2.4851 3.8645 3.0687 3.0687
H4 2.1787 1.0902 2.4851 1.7801 2.5283 2.5219 3.0845
H5 2.1787 1.0902 2.4851 1.7801 2.5283 3.0845 2.5219
H6 1.0966 2.1445 3.8645 2.5283 2.5283 1.7752 1.7752
H7 1.0928 2.1623 3.0687 2.5219 3.0845 1.7752 1.7719
H8 1.0928 2.1623 3.0687 3.0845 2.5219 1.7752 1.7719
Maximum atom distance is 3.8645Å 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 111.296
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.623 C1 C2 H5 112.623
C2 C1 H6 109.484 C2 C1 H7 111.126
C2 C1 H8 111.126 Br3 C2 H4 105.167
Br3 C2 H5 105.167 H4 C2 H5 109.449
H6 C1 H7 108.346 H6 C1 H8 108.346
H7 C1 H8 108.328

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