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

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

HF/CEP-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 0.8511   0.8511 0.0000 0.0000
B2 0.0000 0.0000 -0.8511   -0.8511 0.0000 0.0000
H3 0.0000 1.0246 1.4859   1.4859 0.7352 -0.7137
H4 0.0000 -1.0246 1.4859   1.4859 -0.7352 0.7137
H5 1.0246 0.0000 -1.4859   -1.4859 0.7137 0.7352
H6 -1.0246 0.0000 -1.4859   -1.4859 -0.7137 -0.7352
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.7022 1.2053 1.2053 2.5517 2.5517
B2 1.7022 2.5517 2.5517 1.2053 1.2053
H3 1.2053 2.5517 2.0493 3.3062 3.3062
H4 1.2053 2.5517 2.0493 3.3062 3.3062
H5 2.5517 1.2053 3.3062 3.3062 2.0493
H6 2.5517 1.2053 3.3062 3.3062 2.0493
Maximum atom distance is 3.3062Å 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 121.778 B1 B2 H6 121.778
B2 B1 H3 121.778 B2 B1 H4 121.778
H3 B1 H4 116.443 H5 B2 H6 116.443

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