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Geometry for HSSSH (trisulfane) 1A C2 trans

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

B3LYP/LANL2DZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.9368   0.9364 -0.0242 0.0000
S2 0.0000 1.8385 -0.4303   -0.4301 0.0111 1.8385
S3 0.0000 -1.8385 -0.4303   -0.4301 0.0111 -1.8385
H4 -1.3717 1.9073 -0.6097   -0.6450 -1.3555 1.9073
H5 1.3717 -1.9073 -0.6097   -0.5740 1.3870 -1.9073
Atom - Atom Distances (Å)
  S1 S2 S3 H4 H5
S1 2.2911 2.2911 2.8126 2.8126
S2 2.2911 3.6770 1.3851 3.9931
S3 2.2911 3.6770 3.9931 1.3851
H4 2.8126 1.3851 3.9931 4.6986
H5 2.8126 3.9931 1.3851 4.6986
Maximum atom distance is 4.6986Å between atoms H4 and H5.
picture of trisulfane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 S1 S3 106.735
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 H4 96.726 S1 S3 H5 96.726

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