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Geometry for HCCBr (bromoacetylene) 1Σ C*V

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

B2PLYP=FULL/6-31G**


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -2.3174
C2 0.0000 0.0000 -1.1066
Br3 0.0000 0.0000 0.6835
H4 0.0000 0.0000 -3.3797
Atom - Atom Distances (Å)
  C1 C2 Br3 H4
C1 1.2108 3.0010 1.0623
C2 1.2108 1.7902 2.2731
Br3 3.0010 1.7902 4.0633
H4 1.0623 2.2731 4.0633
Maximum atom distance is 4.0633Å 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.