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Geometry for BHF2 (Difluoroborane) 1A1 C2V

1910171554
InChI=1S/BF2H/c2-1-3/h1H INChIKey=LRZMJFRZMNWFKE-UHFFFAOYSA-N

BLYP/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.4718   0.4718 0.0000 0.0000
H2 0.0000 0.0000 1.6694   1.6694 0.0000 0.0000
F3 0.0000 1.1507 -0.2238   -0.2238 0.0000 1.1507
F4 0.0000 -1.1507 -0.2238   -0.2238 0.0000 -1.1507
Atom - Atom Distances (Å)
  B1 H2 F3 F4
B1 1.1977 1.3446 1.3446
H2 1.1977 2.2155 2.2155
F3 1.3446 2.2155 2.3014
F4 1.3446 2.2155 2.3014
Maximum atom distance is 2.3014Å between atoms F3 and F4.
picture of Difluoroborane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 B1 F4 117.694
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 B1 F3 121.153 H2 B1 F4 121.153

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