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Geometry for C2H3Br (vinyl bromide) 1A' CS

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

PBEPBE/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4581 -1.1182 0.0000   -1.1414 0.3967 0.0000
C2 -0.4435 -2.0975 0.0000   -2.0704 -0.5567 0.0000
Br3 0.0000 0.7319 0.0000   0.7309 0.0397 0.0000
H4 1.5377 -1.2733 0.0000   -1.3549 1.4664 0.0000
H5 -0.1058 -3.1378 0.0000   -3.1274 -0.2760 0.0000
H6 -1.5193 -1.9124 0.0000   -1.8271 -1.6209 0.0000
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6
C1 1.3312 1.9060 1.0908 2.0969 2.1310
C2 1.3312 2.8640 2.1459 1.0937 1.0917
Br3 1.9060 2.8640 2.5270 3.8711 3.0497
H4 1.0908 2.1459 2.5270 2.4855 3.1232
H5 2.0969 1.0937 3.8711 2.4855 1.8707
H6 2.1310 1.0917 3.0497 3.1232 1.8707
Maximum atom distance is 3.8711Å 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 123.461
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 119.384 C1 C2 H6 122.865
C2 C1 H4 124.453 Br3 C1 H4 112.086
H5 C2 H6 117.751

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