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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=FULLultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5765 -2.0339 0.0000   -2.0703 -0.4279 0.0000
C2 0.6034 -1.0824 0.0000   -1.0360 0.6801 0.0000
Br3 0.0000 0.7973 0.0000   0.7952 -0.0577 0.0000
H4 1.2227 -1.1840 0.8892   -1.0924 1.3051 0.8892
H5 1.2227 -1.1840 -0.8892   -1.0924 1.3051 -0.8892
H6 -0.2106 -3.0664 0.0000   -3.0736 0.0117 0.0000
H7 -1.1981 -1.8872 0.8853   -1.9689 -1.0585 0.8853
H8 -1.1981 -1.8872 -0.8853   -1.9689 -1.0585 -0.8853
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5157 2.8893 2.1795 2.1795 1.0954 1.0916 1.0916
C2 1.5157 1.9742 1.0884 1.0884 2.1445 2.1625 2.1625
Br3 2.8893 1.9742 2.4922 2.4922 3.8695 3.0701 3.0701
H4 2.1795 1.0884 2.4922 1.7784 2.5276 2.5208 3.0828
H5 2.1795 1.0884 2.4922 1.7784 2.5276 3.0828 2.5208
H6 1.0954 2.1445 3.8695 2.5276 2.5276 1.7747 1.7747
H7 1.0916 2.1625 3.0701 2.5208 3.0828 1.7747 1.7706
H8 1.0916 2.1625 3.0701 3.0828 2.5208 1.7747 1.7706
Maximum atom distance is 3.8695Å 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 111.089
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.605 C1 C2 H5 112.605
C2 C1 H6 109.374 C2 C1 H7 111.030
C2 C1 H8 111.030 Br3 C2 H4 105.232
Br3 C2 H5 105.232 H4 C2 H5 109.574
H6 C1 H7 108.475 H6 C1 H8 108.475
H7 C1 H8 108.384

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