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

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

CCSD/6-31G*


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8268   0.8268 0.0000 0.0000
B2 0.0000 0.0000 -0.8268   -0.8268 0.0000 0.0000
H3 0.0000 1.0194 1.4653   1.4653 1.0194 0.0000
H4 0.0000 -1.0194 1.4653   1.4653 -1.0194 0.0000
H5 1.0194 0.0000 -1.4653   -1.4653 0.0000 1.0194
H6 -1.0194 0.0000 -1.4653   -1.4653 0.0000 -1.0194
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.6536 1.2028 1.2028 2.5085 2.5085
B2 1.6536 2.5085 2.5085 1.2028 1.2028
H3 1.2028 2.5085 2.0387 3.2659 3.2659
H4 1.2028 2.5085 2.0387 3.2659 3.2659
H5 2.5085 1.2028 3.2659 3.2659 2.0387
H6 2.5085 1.2028 3.2659 3.2659 2.0387
Maximum atom distance is 3.2659Å 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 122.060 B1 B2 H6 122.060
B2 B1 H3 122.060 B2 B1 H4 122.060
H3 B1 H4 115.879 H5 B2 H6 115.879

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