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Geometry for C2H3Br (vinyl bromide) 1A' CS

1910171554
InChI=1S/C2H3Br/c1-2-3/h2H,1H2 INChIKey=INLLPKCGLOXCIV-UHFFFAOYSA-N

mPW1PW91/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4600 -1.1095 0.0000   -1.1328 0.3992 0.0000
C2 -0.4426 -2.0780 0.0000   -2.0510 -0.5545 0.0000
Br3 0.0000 0.7254 0.0000   0.7244 0.0393 0.0000
H4 1.5292 -1.2738 0.0000   -1.3548 1.4579 0.0000
H5 -0.1268 -3.1159 0.0000   -3.1045 -0.2954 0.0000
H6 -1.5063 -1.8753 0.0000   -1.7909 -1.6057 0.0000
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6
C1 1.3239 1.8917 1.0818 2.0905 2.1102
C2 1.3239 2.8382 2.1295 1.0849 1.0828
Br3 1.8917 2.8382 2.5170 3.8435 3.0054
H4 1.0818 2.1295 2.5170 2.4770 3.0945
H5 2.0905 1.0849 3.8435 2.4770 1.8553
H6 2.1102 1.0828 3.0054 3.0945 1.8553
Maximum atom distance is 3.8435Å 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 122.946
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 120.095 C1 C2 H6 122.188
C2 C1 H4 124.242 Br3 C1 H4 112.812
H5 C2 H6 117.717

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