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Geometry for HSSSH (trisulfane) 1A C2 trans

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

mPW1PW91/6-31G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8307   0.0000 0.8307 0.0000
S2 0.0000 1.6818 -0.3791   1.6812 -0.3791 0.0440
S3 0.0000 -1.6818 -0.3791   -1.6812 -0.3791 -0.0440
H4 -1.3292 1.7969 -0.5803   1.8311 -0.5803 -1.2817
H5 1.3292 -1.7969 -0.5803   -1.8311 -0.5803 1.2817
Atom - Atom Distances (Å)
  S1 S2 S3 H4 H5
S1 2.0716 2.0716 2.6432 2.6432
S2 2.0716 3.3635 1.3493 3.7294
S3 2.0716 3.3635 3.7294 1.3493
H4 2.6432 1.3493 3.7294 4.4702
H5 2.6432 3.7294 1.3493 4.4702
Maximum atom distance is 4.4702Å 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 108.544
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 H4 98.998 S1 S3 H5 98.998

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