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Geometry for Si2H6 (disilane) 1A1g D3D

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

PBEPBEultrafine/6-311+G(3df,2p)


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.1738   1.1738 0.0000 0.0000
Si2 0.0000 0.0000 -1.1738   -1.1738 0.0000 0.0000
H3 0.0000 1.4027 1.6956   1.6956 0.1765 1.3916
H4 -1.2148 -0.7014 1.6956   1.6956 -1.2934 -0.5429
H5 1.2148 -0.7014 1.6956   1.6956 1.1169 -0.8487
H6 0.0000 -1.4027 -1.6956   -1.6956 -0.1765 -1.3916
H7 -1.2148 0.7014 -1.6956   -1.6956 -1.1169 0.8487
H8 1.2148 0.7014 -1.6956   -1.6956 1.2934 0.5429
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4 H5 H6 H7 H8
Si1 2.3476 1.4966 1.4966 1.4966 3.1939 3.1939 3.1939
Si2 2.3476 3.1939 3.1939 3.1939 1.4966 1.4966 1.4966
H3 1.4966 3.1939 2.4296 2.4296 4.4011 3.6698 3.6698
H4 1.4966 3.1939 2.4296 2.4296 3.6698 3.6698 4.4011
H5 1.4966 3.1939 2.4296 2.4296 3.6698 4.4011 3.6698
H6 3.1939 1.4966 4.4011 3.6698 3.6698 2.4296 2.4296
H7 3.1939 1.4966 3.6698 3.6698 4.4011 2.4296 2.4296
H8 3.1939 1.4966 3.6698 4.4011 3.6698 2.4296 2.4296
Maximum atom distance is 4.4011Å 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 110.404 Si1 Si2 H7 110.404
Si1 Si2 H8 110.404 Si2 Si1 H3 110.404
Si2 Si1 H4 110.404 Si2 Si1 H5 110.404
H3 Si1 H4 108.522 H3 Si1 H5 108.522
H4 Si1 H5 108.522 H6 Si2 H7 108.522
H6 Si2 H8 108.522 H7 Si2 H8 108.522

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