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Geometry for HSSSH (trisulfane) 1A' CS cis

1910171554
InChI=1S/H2S3/c1-3-2/h1-2H INChIKey=KBMBVTRWEAAZEY-UHFFFAOYSA-N

QCISD(T)=FULL/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 -0.0540 0.8721 0.0000   0.0420 0.8711 -0.0540
S2 -0.0540 -0.4040 1.6858   1.6644 -0.4848 -0.0540
S3 -0.0540 -0.4040 -1.6858   -1.7033 -0.3223 -0.0540
H4 1.2951 -0.5132 1.8073   1.7805 -0.5998 1.2951
H5 1.2951 -0.5132 -1.8073   -1.8300 -0.4255 1.2951
Atom - Atom Distances (Å)
  S1 S2 S3 H4 H5
S1 2.1144 2.1144 2.6468 2.6468
S2 2.1144 3.3716 1.3589 3.7462
S3 2.1144 3.3716 3.7462 1.3589
H4 2.6468 1.3589 3.7462 3.6147
H5 2.6468 3.7462 1.3589 3.6147
Maximum atom distance is 3.7462Å between atoms S2 and H5.
picture of trisulfane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 S1 S3 105.749
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 H4 96.882 S1 S3 H5 96.882

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