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

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

MP2/CEP-121G


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8394   0.8394 0.0000 0.0000
B2 0.0000 0.0000 -0.8394   -0.8394 0.0000 0.0000
H3 0.0000 1.0303 1.4808   1.4808 0.7413 0.7154
H4 0.0000 -1.0303 1.4808   1.4808 -0.7413 -0.7154
H5 1.0303 0.0000 -1.4808   -1.4808 -0.7154 0.7413
H6 -1.0303 0.0000 -1.4808   -1.4808 0.7154 -0.7413
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6788 1.2136 1.2136 2.5386 2.5386
B2 1.6788 2.5386 2.5386 1.2136 1.2136
H3 1.2136 2.5386 2.0605 3.3006 3.3006
H4 1.2136 2.5386 2.0605 3.3006 3.3006
H5 2.5386 1.2136 3.3006 3.3006 2.0605
H6 2.5386 1.2136 3.3006 3.3006 2.0605
Maximum atom distance is 3.3006Å 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 121.904 B1 B2 H6 121.904
B2 B1 H3 121.904 B2 B1 H4 121.904
H3 B1 H4 116.191 H5 B2 H6 116.191

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