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Geometry for Si2H6 (disilane) 1A1g D3D

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

MP2=FULL/TZVP


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.1756   1.1756 0.0000 0.0000
Si2 0.0000 0.0000 -1.1756   -1.1756 0.0000 0.0000
H3 0.0000 1.3893 1.6871   1.6871 0.3695 1.3393
H4 -1.2032 -0.6946 1.6871   1.6871 -1.3446 -0.3497
H5 1.2032 -0.6946 1.6871   1.6871 0.9751 -0.9896
H6 0.0000 -1.3893 -1.6871   -1.6871 -0.3695 -1.3393
H7 -1.2032 0.6946 -1.6871   -1.6871 -0.9751 0.9896
H8 1.2032 0.6946 -1.6871   -1.6871 1.3446 0.3497
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3512 1.4804 1.4804 1.4804 3.1820 3.1820 3.1820
Si2 2.3512 3.1820 3.1820 3.1820 1.4804 1.4804 1.4804
H3 1.4804 3.1820 2.4063 2.4063 4.3710 3.6490 3.6490
H4 1.4804 3.1820 2.4063 2.4063 3.6490 3.6490 4.3710
H5 1.4804 3.1820 2.4063 2.4063 3.6490 4.3710 3.6490
H6 3.1820 1.4804 4.3710 3.6490 3.6490 2.4063 2.4063
H7 3.1820 1.4804 3.6490 3.6490 4.3710 2.4063 2.4063
H8 3.1820 1.4804 3.6490 4.3710 3.6490 2.4063 2.4063
Maximum atom distance is 4.3710Å 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 110.211 Si1 Si2 H7 110.211
Si1 Si2 H8 110.211 Si2 Si1 H3 110.211
Si2 Si1 H4 110.211 Si2 Si1 H5 110.211
H3 Si1 H4 108.722 H3 Si1 H5 108.722
H4 Si1 H5 108.722 H6 Si2 H7 108.722
H6 Si2 H8 108.722 H7 Si2 H8 108.722

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