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Geometry for HSSSH (trisulfane) 1A C2 trans

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

B3PW91/cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8313   0.0000 0.8313 0.0000
S2 0.0000 1.6733 -0.3809   1.6727 -0.3809 0.0441
S3 0.0000 -1.6733 -0.3809   -1.6727 -0.3809 -0.0441
H4 -1.3337 1.7863 -0.5564   1.8209 -0.5564 -1.2861
H5 1.3337 -1.7863 -0.5564   -1.8209 -0.5564 1.2861
Atom - Atom Distances (Å)
  S1 S2 S3 H4 H5
S1 2.0662 2.0662 2.6259 2.6259
S2 2.0662 3.3467 1.3499 3.7120
S3 2.0662 3.3467 3.7120 1.3499
H4 2.6259 1.3499 3.7120 4.4586
H5 2.6259 3.7120 1.3499 4.4586
Maximum atom distance is 4.4586Å 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 108.161
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 H4 98.283 S1 S3 H5 98.283

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