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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/6-311G**


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8366   0.8366 0.0000 0.0000
B2 0.0000 0.0000 -0.8366   -0.8366 0.0000 0.0000
H3 0.0000 1.0168 1.4639   1.4639 1.0168 0.0000
H4 0.0000 -1.0168 1.4639   1.4639 -1.0168 0.0000
H5 1.0168 0.0000 -1.4639   -1.4639 0.0000 1.0168
H6 -1.0168 0.0000 -1.4639   -1.4639 0.0000 -1.0168
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6732 1.1947 1.1947 2.5152 2.5152
B2 1.6732 2.5152 2.5152 1.1947 1.1947
H3 1.1947 2.5152 2.0336 3.2619 3.2619
H4 1.1947 2.5152 2.0336 3.2619 3.2619
H5 2.5152 1.1947 3.2619 3.2619 2.0336
H6 2.5152 1.1947 3.2619 3.2619 2.0336
Maximum atom distance is 3.2619Å 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 121.672 B1 B2 H6 121.672
B2 B1 H3 121.672 B2 B1 H4 121.672
H3 B1 H4 116.655 H5 B2 H6 116.655

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