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Geometry for BClF2 (Chlorodifluoroborane) 1A1 C2V

1910171554
InChI=1S/BClF2/c2-1(3)4 INChIKey=ARGRMFKYCQHOAU-UHFFFAOYSA-N

HSEh1PBE/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -0.4418   -0.4418 0.0000 0.0000
Cl2 0.0000 0.0000 1.3007   1.3007 0.0000 0.0000
F3 0.0000 1.1300 -1.1057   -1.1057 1.1300 0.0000
F4 0.0000 -1.1300 -1.1057   -1.1057 -1.1300 0.0000
Atom - Atom Distances (Å)
  B1 Cl2 F3 F4
B1 1.7425 1.3106 1.3106
Cl2 1.7425 2.6585 2.6585
F3 1.3106 2.6585 2.2600
F4 1.3106 2.6585 2.2600
Maximum atom distance is 2.6585Å between atoms Cl2 and F3.
picture of Chlorodifluoroborane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 B1 F3 120.437 Cl2 B1 F4 120.437
F3 B1 F4 119.127

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