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Geometry for HCCBr (bromoacetylene) 1Σ C*V

1910171554
InChI=1S/C2HBr/c1-2-3/h1H INChIKey=RUEKPBLTWGFBOD-UHFFFAOYSA-N

PBEPBE/6-31G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -2.3547
C2 0.0000 0.0000 -1.1342
Br3 0.0000 0.0000 0.6960
H4 0.0000 0.0000 -3.4262
Atom - Atom Distances (Å)
  C1 C2 Br3 H4
C1 1.2205 3.0507 1.0715
C2 1.2205 1.8302 2.2920
Br3 3.0507 1.8302 4.1222
H4 1.0715 2.2920 4.1222
Maximum atom distance is 4.1222Å between atoms Br3 and H4.
picture of bromoacetylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Br3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 180.000

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