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

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

M06-2X/3-21G*


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8180   0.8180 0.0000 0.0000
B2 0.0000 0.0000 -0.8180   -0.8180 0.0000 0.0000
H3 0.0000 1.0151 1.4507   1.4507 -0.4025 0.9319
H4 0.0000 -1.0151 1.4507   1.4507 0.4025 -0.9319
H5 1.0151 0.0000 -1.4507   -1.4507 0.9319 0.4025
H6 -1.0151 0.0000 -1.4507   -1.4507 -0.9319 -0.4025
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6360 1.1962 1.1962 2.4855 2.4855
B2 1.6360 2.4855 2.4855 1.1962 1.1962
H3 1.1962 2.4855 2.0303 3.2372 3.2372
H4 1.1962 2.4855 2.0303 3.2372 3.2372
H5 2.4855 1.1962 3.2372 3.2372 2.0303
H6 2.4855 1.1962 3.2372 3.2372 2.0303
Maximum atom distance is 3.2372Å 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 121.934 B1 B2 H6 121.934
B2 B1 H3 121.934 B2 B1 H4 121.934
H3 B1 H4 116.132 H5 B2 H6 116.132

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