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Geometry for HBHHBH (Diborane(4) C2V) 1A1 C2V

1910171554
InChI=1S/B2H4/c1-3-2-4-1/h1-2H INChIKey=DMJZZSLVPSMWCS-UHFFFAOYSA-N

B97D3/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.7404 -0.1169   0.7404 0.0000 -0.1169
B2 0.0000 -0.7404 -0.1169   -0.7404 0.0000 -0.1169
H3 0.9223 0.0000 0.5997   0.0000 0.9223 0.5997
H4 -0.9223 0.0000 0.5997   0.0000 -0.9223 0.5997
H5 0.0000 1.9148 -0.0152   1.9148 0.0000 -0.0152
H6 0.0000 -1.9148 -0.0152   -1.9148 0.0000 -0.0152
Atom - Atom Distances (Å)
  B1 B2 H3 H4 H5 H6
B1 1.4808 1.3828 1.3828 1.1788 2.6572
B2 1.4808 1.3828 1.3828 2.6572 1.1788
H3 1.3828 1.3828 1.8445 2.2125 2.2125
H4 1.3828 1.3828 1.8445 2.2125 2.2125
H5 1.1788 2.6572 2.2125 2.2125 3.8296
H6 2.6572 1.1788 2.2125 2.2125 3.8296
Maximum atom distance is 3.8296Å between atoms H5 and H6.
picture of Diborane(4) C2V
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 H3 57.092 B1 B2 H4 57.092
B1 B2 H6 174.950 B1 H3 B2 65.815
B1 H4 B2 65.815 B2 B1 H3 57.092
B2 B1 H4 57.092 B2 B1 H5 174.950
H3 B1 H4 84.768 H3 B1 H5 119.810
H3 B2 H4 84.768 H3 B2 H6 119.810
H4 B1 H5 119.810 H4 B2 H6 119.810

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