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Geometry for BCl3 (Borane, trichloro-) 1A1' D3H

1910171554
InChI=1S/BCl3/c2-1(3)4 INChIKey=FAQYAMRNWDIXMY-UHFFFAOYSA-N

wB97X-D/6-311G**


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
Cl2 0.0000 1.7458 0.0000   0.0000 1.7458 0.0000
Cl3 1.5119 -0.8729 0.0000   1.5119 -0.8729 0.0000
Cl4 -1.5119 -0.8729 0.0000   -1.5119 -0.8729 0.0000
Atom - Atom Distances (Å)
  B1 Cl2 Cl3 Cl4
B1 1.7458 1.7458 1.7458
Cl2 1.7458 3.0238 3.0238
Cl3 1.7458 3.0238 3.0238
Cl4 1.7458 3.0238 3.0238
Maximum atom distance is 3.0238Å between atoms Cl2 and Cl3.
picture of Borane, trichloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 B1 Cl3 120.000 Cl2 B1 Cl4 120.000
Cl3 B1 Cl4 120.000

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