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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/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4610 -1.1107 0.0000   -1.0836 0.5214 0.0000
C2 -0.4452 -2.0807 0.0000   -2.1020 -0.3301 0.0000
Br3 0.0000 0.7263 0.0000   0.7252 -0.0400 0.0000
H4 1.5270 -1.2805 0.0000   -1.1945 1.5952 0.0000
H5 -0.1150 -3.1106 0.0000   -3.1123 0.0563 0.0000
H6 -1.5064 -1.8798 0.0000   -1.9599 -1.4007 0.0000
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6
C1 1.3274 1.8939 1.0795 2.0813 2.1124
C2 1.3274 2.8420 2.1284 1.0816 1.0801
Br3 1.8939 2.8420 2.5217 3.8386 3.0101
H4 1.0795 2.1284 2.5217 2.4588 3.0921
H5 2.0813 1.0816 3.8386 2.4588 1.8577
H6 2.1124 1.0801 3.0101 3.0921 1.8577
Maximum atom distance is 3.8386Å 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 122.860
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 119.172 C1 C2 H6 122.335
C2 C1 H4 124.000 Br3 C1 H4 113.139
H5 C2 H6 118.492

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