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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/6-31G(2df,p)


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8387   0.8387 0.0000 0.0000
B2 0.0000 0.0000 -0.8387   -0.8387 0.0000 0.0000
H3 0.0000 1.0154 1.4667   1.4667 -0.6909 0.7441
H4 0.0000 -1.0154 1.4667   1.4667 0.6909 -0.7441
H5 1.0154 0.0000 -1.4667   -1.4667 0.7441 0.6909
H6 -1.0154 0.0000 -1.4667   -1.4667 -0.7441 -0.6909
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6774 1.1939 1.1939 2.5191 2.5191
B2 1.6774 2.5191 2.5191 1.1939 1.1939
H3 1.1939 2.5191 2.0307 3.2661 3.2661
H4 1.1939 2.5191 2.0307 3.2661 3.2661
H5 2.5191 1.1939 3.2661 3.2661 2.0307
H6 2.5191 1.1939 3.2661 3.2661 2.0307
Maximum atom distance is 3.2661Å 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 121.738 B1 B2 H6 121.738
B2 B1 H3 121.738 B2 B1 H4 121.738
H3 B1 H4 116.524 H5 B2 H6 116.524

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