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Geometry for HSSSH (trisulfane) 1A C2 trans

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

CISD/3-21G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.9837   0.0000 0.9837 0.0000
S2 0.0000 1.7984 -0.4510   1.7979 -0.4510 0.0427
S3 0.0000 -1.7984 -0.4510   -1.7979 -0.4510 -0.0427
H4 -1.3584 1.8215 -0.6542   1.8533 -0.6542 -1.3147
H5 1.3584 -1.8215 -0.6542   -1.8533 -0.6542 1.3147
Atom - Atom Distances (Å)
  S1 S2 S3 H4 H5
S1 2.3005 2.3005 2.8010 2.8010
S2 2.3005 3.5968 1.3737 3.8717
S3 2.3005 3.5968 3.8717 1.3737
H4 2.8010 1.3737 3.8717 4.5445
H5 2.8010 3.8717 1.3737 4.5445
Maximum atom distance is 4.5445Å 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 102.839
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 H4 96.053 S1 S3 H5 96.053

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