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Geometry for C2H3Br (vinyl bromide) 1A' CS

1910171554
InChI=1S/C2H3Br/c1-2-3/h2H,1H2 INChIKey=INLLPKCGLOXCIV-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 0.4657 -1.1164 0.0000   -1.0890 0.5267 0.0000
C2 -0.4481 -2.0881 0.0000   -2.1097 -0.3321 0.0000
Br3 0.0000 0.7292 0.0000   0.7281 -0.0403 0.0000
H4 1.5375 -1.2816 0.0000   -1.1947 1.6059 0.0000
H5 -0.1289 -3.1261 0.0000   -3.1284 0.0440 0.0000
H6 -1.5143 -1.8886 0.0000   -1.9694 -1.4076 0.0000
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6
C1 1.3339 1.9035 1.0844 2.0958 2.1253
C2 1.3339 2.8528 2.1431 1.0859 1.0846
Br3 1.9035 2.8528 2.5312 3.8575 3.0243
H4 1.0844 2.1431 2.5312 2.4858 3.1115
H5 2.0958 1.0859 3.8575 2.4858 1.8575
H6 2.1253 1.0846 3.0243 3.1115 1.8575
Maximum atom distance is 3.8575Å between atoms Br3 and H5.
picture of vinyl bromide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 Br3 122.594
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 119.663 C1 C2 H6 122.644
C2 C1 H4 124.482 Br3 C1 H4 112.924
H5 C2 H6 117.693

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