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

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

B1B95/6-311+G(3df,2p)


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8116   0.8116 0.0000 0.0000
B2 0.0000 0.0000 -0.8116   -0.8116 0.0000 0.0000
H3 0.0000 1.0122 1.4472   1.4472 0.3729 0.9410
H4 0.0000 -1.0122 1.4472   1.4472 -0.3729 -0.9410
H5 1.0122 0.0000 -1.4472   -1.4472 0.9410 -0.3729
H6 -1.0122 0.0000 -1.4472   -1.4472 -0.9410 0.3729
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6233 1.1952 1.1952 2.4753 2.4753
B2 1.6233 2.4753 2.4753 1.1952 1.1952
H3 1.1952 2.4753 2.0245 3.2291 3.2291
H4 1.1952 2.4753 2.0245 3.2291 3.2291
H5 2.4753 1.1952 3.2291 3.2291 2.0245
H6 2.4753 1.1952 3.2291 3.2291 2.0245
Maximum atom distance is 3.2291Å 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 122.124 B1 B2 H6 122.124
B2 B1 H3 122.124 B2 B1 H4 122.124
H3 B1 H4 115.753 H5 B2 H6 115.753

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