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Geometry for Si2H6 (disilane) 1A1g D3D

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

MP2/6-31G**


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.1694   0.0000 1.1694 0.0000
Si2 0.0000 0.0000 -1.1694   0.0000 -1.1694 0.0000
H3 0.0000 1.3850 1.6829   1.3850 1.6829 0.0000
H4 -1.1994 -0.6925 1.6829   -0.6925 1.6829 -1.1994
H5 1.1994 -0.6925 1.6829   -0.6925 1.6829 1.1994
H6 0.0000 -1.3850 -1.6829   -1.3850 -1.6829 0.0000
H7 -1.1994 0.6925 -1.6829   0.6925 -1.6829 -1.1994
H8 1.1994 0.6925 -1.6829   0.6925 -1.6829 1.1994
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3388 1.4771 1.4771 1.4771 3.1708 3.1708 3.1708
Si2 2.3388 3.1708 3.1708 3.1708 1.4771 1.4771 1.4771
H3 1.4771 3.1708 2.3988 2.3988 4.3591 3.6397 3.6397
H4 1.4771 3.1708 2.3988 2.3988 3.6397 3.6397 4.3591
H5 1.4771 3.1708 2.3988 2.3988 3.6397 4.3591 3.6397
H6 3.1708 1.4771 4.3591 3.6397 3.6397 2.3988 2.3988
H7 3.1708 1.4771 3.6397 3.6397 4.3591 2.3988 2.3988
H8 3.1708 1.4771 3.6397 4.3591 3.6397 2.3988 2.3988
Maximum atom distance is 4.3591Å 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 110.345 Si1 Si2 H7 110.345
Si1 Si2 H8 110.345 Si2 Si1 H3 110.345
Si2 Si1 H4 110.345 Si2 Si1 H5 110.345
H3 Si1 H4 108.584 H3 Si1 H5 108.584
H4 Si1 H5 108.584 H6 Si2 H7 108.584
H6 Si2 H8 108.584 H7 Si2 H8 108.584

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