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Geometry for HOSH (hydrogen thioperoxide) 1A C1

1910171554
InChI=1S/H2OS/c1-2/h1-2H INChIKey=

wB97X-D/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 -0.5859 -0.0901 0.0089   0.5816 -0.1135 0.0185
O2 1.0987 0.0229 -0.1174   -1.0929 0.0750 -0.1461
H3 -0.8634 1.2403 0.0166   0.9080 1.2005 0.1350
H4 1.4482 0.0176 0.7803   -1.4700 0.0164 0.7384
Atom - Atom Distances (Å)
  S1 O2 H3 H4
S1 1.6931 1.3590 2.1781
O2 1.6931 2.3129 0.9634
H3 1.3590 2.3129 2.7242
H4 2.1781 0.9634 2.7242
Maximum atom distance is 2.7242Å between atoms H3 and H4.
picture of hydrogen thioperoxide
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
S1 O2 H4 106.924 O2 S1 H3 97.948

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