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Geometry for HCCBr (bromoacetylene) 1Σ C*V

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

PBE1PBE/6-31G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -2.3352
C2 0.0000 0.0000 -1.1263
Br3 0.0000 0.0000 0.6905
H4 0.0000 0.0000 -3.3992
Atom - Atom Distances (Å)
  C1 C2 Br3 H4
C1 1.2088 3.0257 1.0640
C2 1.2088 1.8168 2.2729
Br3 3.0257 1.8168 4.0897
H4 1.0640 2.2729 4.0897
Maximum atom distance is 4.0897Å 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.