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Geometry for Si2H2 (disilyne) 1A1 C2V

1910171554
InChI=1S/H4Si2/c1-2/h1-2H INChIKey=

BLYP/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 1.0843 -0.0572   1.0843 0.0000 -0.0572
Si2 0.0000 -1.0843 -0.0572   -1.0843 0.0000 -0.0572
H3 0.9915 0.0000 0.8005   0.0000 0.9915 0.8005
H4 -0.9915 0.0000 0.8005   0.0000 -0.9915 0.8005
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4
Si1 2.1686 1.7013 1.7013
Si2 2.1686 1.7013 1.7013
H3 1.7013 1.7013 1.9829
H4 1.7013 1.7013 1.9829
Maximum atom distance is 2.1686Å between atoms Si1 and Si2.
picture of disilyne
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 H4 50.406 Si2 Si1 H3 50.406

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