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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

B2PLYP=FULL/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5850 -2.0316 0.0000   -1.9849 -0.7278 0.0000
C2 0.6143 -1.0805 0.0000   -1.1214 0.5360 0.0000
Br3 0.0000 0.7963 0.0000   0.7943 0.0566 0.0000
H4 1.2282 -1.1942 0.8916   -1.2785 1.1403 0.8916
H5 1.2282 -1.1942 -0.8916   -1.2785 1.1403 -0.8916
H6 -0.2312 -3.0683 0.0000   -3.0441 -0.4486 0.0000
H7 -1.2006 -1.8699 0.8867   -1.7799 -1.3304 0.8867
H8 -1.2006 -1.8699 -0.8867   -1.7799 -1.3304 -0.8867
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5306 2.8877 2.1872 2.1872 1.0953 1.0915 1.0915
C2 1.5306 1.9748 1.0885 1.0885 2.1601 2.1687 2.1687
Br3 2.8877 1.9748 2.5031 2.5031 3.8714 3.0555 3.0555
H4 2.1872 1.0885 2.5031 1.7832 2.5371 2.5211 3.0851
H5 2.1872 1.0885 2.5031 1.7832 2.5371 3.0851 2.5211
H6 1.0953 2.1601 3.8714 2.5371 2.5371 1.7782 1.7782
H7 1.0915 2.1687 3.0555 2.5211 3.0851 1.7782 1.7733
H8 1.0915 2.1687 3.0555 3.0851 2.5211 1.7782 1.7733
Maximum atom distance is 3.8714Å 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 110.292
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.148 C1 C2 H5 112.148
C2 C1 H6 109.576 C2 C1 H7 110.481
C2 C1 H8 110.481 Br3 C2 H4 105.947
Br3 C2 H5 105.947 H4 C2 H5 109.996
H6 C1 H7 108.806 H6 C1 H8 108.806
H7 C1 H8 108.650

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