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Geometry for Si2H6 (disilane) 1A1g D3D

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

CISD/6-31G*


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.1698   0.0000 1.1698 0.0000
Si2 0.0000 0.0000 -1.1698   0.0000 -1.1698 0.0000
H3 0.0000 1.3950 1.6901   1.3950 1.6901 0.0000
H4 -1.2081 -0.6975 1.6901   -0.6975 1.6901 -1.2081
H5 1.2081 -0.6975 1.6901   -0.6975 1.6901 1.2081
H6 0.0000 -1.3950 -1.6901   -1.3950 -1.6901 0.0000
H7 -1.2081 0.6975 -1.6901   0.6975 -1.6901 -1.2081
H8 1.2081 0.6975 -1.6901   0.6975 -1.6901 1.2081
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3395 1.4889 1.4889 1.4889 3.1820 3.1820 3.1820
Si2 2.3395 3.1820 3.1820 3.1820 1.4889 1.4889 1.4889
H3 1.4889 3.1820 2.4162 2.4162 4.3829 3.6568 3.6568
H4 1.4889 3.1820 2.4162 2.4162 3.6568 3.6568 4.3829
H5 1.4889 3.1820 2.4162 2.4162 3.6568 4.3829 3.6568
H6 3.1820 1.4889 4.3829 3.6568 3.6568 2.4162 2.4162
H7 3.1820 1.4889 3.6568 3.6568 4.3829 2.4162 2.4162
H8 3.1820 1.4889 3.6568 4.3829 3.6568 2.4162 2.4162
Maximum atom distance is 4.3829Å 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 110.457 Si1 Si2 H7 110.457
Si1 Si2 H8 110.457 Si2 Si1 H3 110.457
Si2 Si1 H4 110.457 Si2 Si1 H5 110.457
H3 Si1 H4 108.468 H3 Si1 H5 108.468
H4 Si1 H5 108.468 H6 Si2 H7 108.468
H6 Si2 H8 108.468 H7 Si2 H8 108.468

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