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Geometry for Si2H6 (disilane) 1A1g D3D

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

PBEPBE/cc-pVTZ


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.1765   0.0000 -1.1765 0.0000
Si2 0.0000 0.0000 -1.1765   0.0000 1.1765 -0.0000
H3 0.0000 1.4056 1.6982   1.4056 -1.6982 0.0000
H4 -1.2173 -0.7028 1.6982   -0.7028 -1.6982 1.2173
H5 1.2173 -0.7028 1.6982   -0.7028 -1.6982 -1.2173
H6 0.0000 -1.4056 -1.6982   -1.4056 1.6982 -0.0000
H7 -1.2173 0.7028 -1.6982   0.7028 1.6982 1.2173
H8 1.2173 0.7028 -1.6982   0.7028 1.6982 -1.2173
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3531 1.4993 1.4993 1.4993 3.2000 3.2000 3.2000
Si2 2.3531 3.2000 3.2000 3.2000 1.4993 1.4993 1.4993
H3 1.4993 3.2000 2.4346 2.4346 4.4090 3.6758 3.6758
H4 1.4993 3.2000 2.4346 2.4346 3.6758 3.6758 4.4090
H5 1.4993 3.2000 2.4346 2.4346 3.6758 4.4090 3.6758
H6 3.2000 1.4993 4.4090 3.6758 3.6758 2.4346 2.4346
H7 3.2000 1.4993 3.6758 3.6758 4.4090 2.4346 2.4346
H8 3.2000 1.4993 3.6758 4.4090 3.6758 2.4346 2.4346
Maximum atom distance is 4.4090Å between atoms H3 and H6.
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 110.362 Si1 Si2 H7 110.362
Si1 Si2 H8 110.362 Si2 Si1 H3 110.362
Si2 Si1 H4 110.362 Si2 Si1 H5 110.362
H3 Si1 H4 108.565 H3 Si1 H5 108.565
H4 Si1 H5 108.565 H6 Si2 H7 108.565
H6 Si2 H8 108.565 H7 Si2 H8 108.565

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