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Geometry for Si2H6 (disilane) 1A1g D3D

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

HF/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 1.1811   1.1811 0.0000 0.0000
Si2 0.0000 0.0000 -1.1811   -1.1811 0.0000 0.0000
H3 0.0000 1.3860 1.6948   1.6948 1.3860 0.0000
H4 -1.2003 -0.6930 1.6948   1.6948 -0.6930 -1.2003
H5 1.2003 -0.6930 1.6948   1.6948 -0.6930 1.2003
H6 0.0000 -1.3860 -1.6948   -1.6948 -1.3860 0.0000
H7 -1.2003 0.6930 -1.6948   -1.6948 0.6930 -1.2003
H8 1.2003 0.6930 -1.6948   -1.6948 0.6930 1.2003
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3622 1.4781 1.4781 1.4781 3.1925 3.1925 3.1925
Si2 2.3622 3.1925 3.1925 3.1925 1.4781 1.4781 1.4781
H3 1.4781 3.1925 2.4006 2.4006 4.3787 3.6620 3.6620
H4 1.4781 3.1925 2.4006 2.4006 3.6620 3.6620 4.3787
H5 1.4781 3.1925 2.4006 2.4006 3.6620 4.3787 3.6620
H6 3.1925 1.4781 4.3787 3.6620 3.6620 2.4006 2.4006
H7 3.1925 1.4781 3.6620 3.6620 4.3787 2.4006 2.4006
H8 3.1925 1.4781 3.6620 4.3787 3.6620 2.4006 2.4006
Maximum atom distance is 4.3787Å 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 110.337 Si1 Si2 H7 110.337
Si1 Si2 H8 110.337 Si2 Si1 H3 110.337
Si2 Si1 H4 110.337 Si2 Si1 H5 110.337
H3 Si1 H4 108.592 H3 Si1 H5 108.592
H4 Si1 H5 108.592 H6 Si2 H7 108.592
H6 Si2 H8 108.592 H7 Si2 H8 108.592

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