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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

MP2/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5858 -2.0556 0.0000   -2.0078 -0.7332 0.0000
C2 0.6171 -1.1132 0.0000   -1.1550 0.5348 0.0000
Br3 0.0000 0.8097 0.0000   0.8075 0.0587 0.0000
H4 1.2337 -1.2160 0.8958   -1.3022 1.1423 0.8958
H5 1.2337 -1.2160 -0.8958   -1.3022 1.1423 -0.8958
H6 -0.2377 -3.0992 0.0000   -3.0738 -0.4617 0.0000
H7 -1.2087 -1.8968 0.8887   -1.8042 -1.3430 0.8887
H8 -1.2087 -1.8968 -0.8887   -1.8042 -1.3430 -0.8887
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5280 2.9245 2.1949 2.1949 1.1001 1.0969 1.0969
C2 1.5280 2.0194 1.0923 1.0923 2.1621 2.1765 2.1765
Br3 2.9245 2.0194 2.5353 2.5353 3.9161 3.0944 3.0944
H4 2.1949 1.0923 2.5353 1.7916 2.5522 2.5355 3.1005
H5 2.1949 1.0923 2.5353 1.7916 2.5522 3.1005 2.5355
H6 1.1001 2.1621 3.9161 2.5522 2.5522 1.7829 1.7829
H7 1.0969 2.1765 3.0944 2.5355 3.1005 1.7829 1.7775
H8 1.0969 2.1765 3.0944 3.1005 2.5355 1.7829 1.7775
Maximum atom distance is 3.9161Å 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 110.286
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.723 C1 C2 H5 112.723
C2 C1 H6 109.634 C2 C1 H7 110.962
C2 C1 H8 110.962 Br3 C2 H4 105.194
Br3 C2 H5 105.194 H4 C2 H5 110.186
H6 C1 H7 108.486 H6 C1 H8 108.486
H7 C1 H8 108.238

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