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Geometry for CH3SSH (Hydrogen methyl disulfide) 1A C1

1910171554
InChI=1S/CH4S2/c1-3-2/h2H,1H3 INChIKey=KFLNNVFDKSNGBW-UHFFFAOYSA-N

HF/6-311G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6406 0.6907 -0.0052   1.6728 0.6073 0.0391
S2 -0.4840 -0.7060 0.0145   0.4479 -0.7296 0.0067
S3 1.3552 0.2417 -0.0866   -1.3397 0.3113 -0.1045
H4 1.5623 0.4379 1.2148   -1.5607 0.4890 1.1972
H5 -1.4935 1.2946 -0.8890   1.5723 1.2372 -0.8331
H6 -2.6330 0.2559 -0.0253   2.6425 0.1239 0.0262
H7 -1.5322 1.2964 0.8837   1.5783 1.1981 0.9396
Atom - Atom Distances (Å)
  C1 S2 S3 H4 H5 H6 H7
C1 1.8135 3.0303 3.4367 1.0806 1.0836 1.0811
S2 1.8135 2.0715 2.6337 2.4162 2.3548 2.4216
S3 3.0303 2.0715 1.3323 3.1413 3.9887 3.2235
H4 3.4367 2.6337 1.3323 3.8076 4.3785 3.2284
H5 1.0806 2.4162 3.1413 3.8076 1.7673 1.7731
H6 1.0836 2.3548 3.9887 4.3785 1.7673 1.7665
H7 1.0811 2.4216 3.2235 3.2284 1.7731 1.7665
Maximum atom distance is 4.3785Å between atoms H4 and H6.
picture of Hydrogen methyl disulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 S2 S3 102.321
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H5 110.644 S2 C1 H6 105.982
S2 C1 H7 111.020 S2 S3 H4 99.075
H5 C1 H6 109.492 H5 C1 H7 110.221
H6 C1 H7 109.382

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