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Geometry for Si2H6 (disilane) 1A1g D3D

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

MP2/6-311G**


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.1714   1.1714 0.0000 0.0000
Si2 0.0000 0.0000 -1.1714   -1.1714 -0.0000 0.0000
H3 0.0000 1.3862 1.6836   1.6836 -1.3862 0.0000
H4 -1.2005 -0.6931 1.6836   1.6836 0.6931 1.2005
H5 1.2005 -0.6931 1.6836   1.6836 0.6931 -1.2005
H6 0.0000 -1.3862 -1.6836   -1.6836 1.3862 -0.0000
H7 -1.2005 0.6931 -1.6836   -1.6836 -0.6931 1.2005
H8 1.2005 0.6931 -1.6836   -1.6836 -0.6931 -1.2005
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3428 1.4778 1.4778 1.4778 3.1738 3.1738 3.1738
Si2 2.3428 3.1738 3.1738 3.1738 1.4778 1.4778 1.4778
H3 1.4778 3.1738 2.4010 2.4010 4.3617 3.6414 3.6414
H4 1.4778 3.1738 2.4010 2.4010 3.6414 3.6414 4.3617
H5 1.4778 3.1738 2.4010 2.4010 3.6414 4.3617 3.6414
H6 3.1738 1.4778 4.3617 3.6414 3.6414 2.4010 2.4010
H7 3.1738 1.4778 3.6414 3.6414 4.3617 2.4010 2.4010
H8 3.1738 1.4778 3.6414 4.3617 3.6414 2.4010 2.4010
Maximum atom distance is 4.3617Å 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 110.279 Si1 Si2 H7 110.279
Si1 Si2 H8 110.279 Si2 Si1 H3 110.279
Si2 Si1 H4 110.279 Si2 Si1 H5 110.279
H3 Si1 H4 108.651 H3 Si1 H5 108.651
H4 Si1 H5 108.651 H6 Si2 H7 108.651
H6 Si2 H8 108.651 H7 Si2 H8 108.651

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