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Geometry for Si2H2 (disilyne) 1A1 C2V

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

HSEh1PBE/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 1.1044 -0.0537   1.1044 0.0000 -0.0537
Si2 0.0000 -1.1044 -0.0537   -1.1044 0.0000 -0.0537
H3 0.9906 0.0000 0.7517   0.0000 0.9906 0.7517
H4 -0.9906 0.0000 0.7517   0.0000 -0.9906 0.7517
Atom - Atom Distances (Å)
  Si1 Si2 H3 H4
Si1 2.2088 1.6881 1.6881
Si2 2.2088 1.6881 1.6881
H3 1.6881 1.6881 1.9812
H4 1.6881 1.6881 1.9812
Maximum atom distance is 2.2088Å 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 49.138 Si2 Si1 H3 49.138

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