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Geometry for HCCBr (bromoacetylene) 1Σ C*V

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

QCISD(T)=FULL/aug-cc-pVDZ


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -2.3487
C2 0.0000 0.0000 -1.1198
Br3 0.0000 0.0000 0.6925
H4 0.0000 0.0000 -3.4248
Atom - Atom Distances (Å)
  C1 C2 Br3 H4
C1 1.2289 3.0412 1.0761
C2 1.2289 1.8123 2.3049
Br3 3.0412 1.8123 4.1172
H4 1.0761 2.3049 4.1172
Maximum atom distance is 4.1172Å 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.