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Geometry for Si2H6 (disilane) 1A1g D3D

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

B2PLYP=FULL/STO-3G


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.1260   0.0000 -1.1260 0.0000
Si2 0.0000 0.0000 -1.1260   0.0000 1.1260 -0.0000
H3 0.0000 1.3430 1.6450   1.3430 -1.6450 0.0000
H4 -1.1631 -0.6715 1.6450   -0.6715 -1.6450 1.1631
H5 1.1631 -0.6715 1.6450   -0.6715 -1.6450 -1.1631
H6 0.0000 -1.3430 -1.6450   -1.3430 1.6450 -0.0000
H7 -1.1631 0.6715 -1.6450   0.6715 1.6450 1.1631
H8 1.1631 0.6715 -1.6450   0.6715 1.6450 -1.1631
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.2519 1.4398 1.4398 1.4398 3.0793 3.0793 3.0793
Si2 2.2519 3.0793 3.0793 3.0793 1.4398 1.4398 1.4398
H3 1.4398 3.0793 2.3262 2.3262 4.2473 3.5536 3.5536
H4 1.4398 3.0793 2.3262 2.3262 3.5536 3.5536 4.2473
H5 1.4398 3.0793 2.3262 2.3262 3.5536 4.2473 3.5536
H6 3.0793 1.4398 4.2473 3.5536 3.5536 2.3262 2.3262
H7 3.0793 1.4398 3.5536 3.5536 4.2473 2.3262 2.3262
H8 3.0793 1.4398 3.5536 4.2473 3.5536 2.3262 2.3262
Maximum atom distance is 4.2473Å 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 111.130 Si1 Si2 H7 111.130
Si1 Si2 H8 111.130 Si2 Si1 H3 111.130
Si2 Si1 H4 111.130 Si2 Si1 H5 111.130
H3 Si1 H4 107.763 H3 Si1 H5 107.763
H4 Si1 H5 107.763 H6 Si2 H7 107.763
H6 Si2 H8 107.763 H7 Si2 H8 107.763

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