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

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

B97D3/aug-cc-pVTZ


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8161   0.8161 0.0000 0.0000
B2 0.0000 0.0000 -0.8161   -0.8161 0.0000 0.0000
H3 0.0000 1.0187 1.4607   1.4607 1.0187 0.0000
H4 0.0000 -1.0187 1.4607   1.4607 -1.0187 0.0000
H5 1.0187 0.0000 -1.4607   -1.4607 0.0000 1.0187
H6 -1.0187 0.0000 -1.4607   -1.4607 0.0000 -1.0187
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6322 1.2055 1.2055 2.4942 2.4942
B2 1.6322 2.4942 2.4942 1.2055 1.2055
H3 1.2055 2.4942 2.0373 3.2572 3.2572
H4 1.2055 2.4942 2.0373 3.2572 3.2572
H5 2.4942 1.2055 3.2572 3.2572 2.0373
H6 2.4942 1.2055 3.2572 3.2572 2.0373
Maximum atom distance is 3.2572Å 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 122.324 B1 B2 H6 122.324
B2 B1 H3 122.324 B2 B1 H4 122.324
H3 B1 H4 115.352 H5 B2 H6 115.352

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