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Geometry for Si2H6 (disilane) 1A1g D3D

1910171554
InChI=1S/H6Si2/c1-2/h1-2H3 INChIKey=PZPGRFITIJYNEJ-UHFFFAOYSA-N

B3LYP/6-311+G(3df,2p)


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.1749   0.0000 -1.1749 0.0000
Si2 0.0000 0.0000 -1.1749   0.0000 1.1749 -0.0000
H3 0.0000 1.3906 1.6915   1.3906 -1.6915 0.0000
H4 -1.2043 -0.6953 1.6915   -0.6953 -1.6915 1.2043
H5 1.2043 -0.6953 1.6915   -0.6953 -1.6915 -1.2043
H6 0.0000 -1.3906 -1.6915   -1.3906 1.6915 -0.0000
H7 -1.2043 0.6953 -1.6915   0.6953 1.6915 1.2043
H8 1.2043 0.6953 -1.6915   0.6953 1.6915 -1.2043
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3498 1.4834 1.4834 1.4834 3.1859 3.1859 3.1859
Si2 2.3498 3.1859 3.1859 3.1859 1.4834 1.4834 1.4834
H3 1.4834 3.1859 2.4085 2.4085 4.3795 3.6577 3.6577
H4 1.4834 3.1859 2.4085 2.4085 3.6577 3.6577 4.3795
H5 1.4834 3.1859 2.4085 2.4085 3.6577 4.3795 3.6577
H6 3.1859 1.4834 4.3795 3.6577 3.6577 2.4085 2.4085
H7 3.1859 1.4834 3.6577 3.6577 4.3795 2.4085 2.4085
H8 3.1859 1.4834 3.6577 4.3795 3.6577 2.4085 2.4085
Maximum atom distance is 4.3795Å between atoms H4 and H8.
picture of disilane
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
Si1 Si2 H6 110.382 Si1 Si2 H7 110.382
Si1 Si2 H8 110.382 Si2 Si1 H3 110.382
Si2 Si1 H4 110.382 Si2 Si1 H5 110.382
H3 Si1 H4 108.545 H3 Si1 H5 108.545
H4 Si1 H5 108.545 H6 Si2 H7 108.545
H6 Si2 H8 108.545 H7 Si2 H8 108.545

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