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

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

B1B95/6-31G(2df,p)


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8152   0.8152 0.0000 0.0000
B2 0.0000 0.0000 -0.8152   -0.8152 0.0000 0.0000
H3 0.0000 1.0142 1.4547   1.4547 0.7033 0.7308
H4 0.0000 -1.0142 1.4547   1.4547 -0.7033 -0.7308
H5 1.0142 0.0000 -1.4547   -1.4547 0.7308 -0.7033
H6 -1.0142 0.0000 -1.4547   -1.4547 -0.7308 0.7033
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6304 1.1990 1.1990 2.4862 2.4862
B2 1.6304 2.4862 2.4862 1.1990 1.1990
H3 1.1990 2.4862 2.0284 3.2437 3.2437
H4 1.1990 2.4862 2.0284 3.2437 3.2437
H5 2.4862 1.1990 3.2437 3.2437 2.0284
H6 2.4862 1.1990 3.2437 3.2437 2.0284
Maximum atom distance is 3.2437Å 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 122.233 B1 B2 H6 122.233
B2 B1 H3 122.233 B2 B1 H4 122.233
H3 B1 H4 115.534 H5 B2 H6 115.534

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