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Geometry for B2H4 (Diborane(4) D2d) 1A1 D2D

1910171554
InChI=1S/B2H4/c1-2/h1-2H2 INChIKey=QSJRRLWJRLPVID-UHFFFAOYSA-N

HSEh1PBE/6-31G


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8165   0.8165 0.0000 0.0000
B2 0.0000 0.0000 -0.8165   -0.8165 0.0000 0.0000
H3 0.0000 1.0174 1.4589   1.4589 -0.1976 0.9980
H4 0.0000 -1.0174 1.4589   1.4589 0.1976 -0.9980
H5 1.0174 0.0000 -1.4589   -1.4589 0.9980 0.1976
H6 -1.0174 0.0000 -1.4589   -1.4589 -0.9980 -0.1976
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6331 1.2032 1.2032 2.4925 2.4925
B2 1.6331 2.4925 2.4925 1.2032 1.2032
H3 1.2032 2.4925 2.0347 3.2532 3.2532
H4 1.2032 2.4925 2.0347 3.2532 3.2532
H5 2.4925 1.2032 3.2532 3.2532 2.0347
H6 2.4925 1.2032 3.2532 3.2532 2.0347
Maximum atom distance is 3.2532Å between atoms H3 and H5.
picture of Diborane(4) D2d
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B1 B2 H5 122.268 B1 B2 H6 122.268
B2 B1 H3 122.268 B2 B1 H4 122.268
H3 B1 H4 115.464 H5 B2 H6 115.464

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