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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

B1B95/STO-3G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6068 0.7102 -0.0039   -1.5667 0.7946 -0.0173
S2 -0.4933 -0.7267 0.0112   -0.5312 -0.6995 -0.0103
S3 1.3505 0.2471 -0.0869   1.3630 0.1764 -0.0601
H4 1.5131 0.3984 1.2562   1.5099 0.2952 1.2882
H5 -1.4768 1.3277 -0.9029   -1.3885 1.4200 -0.9025
H6 -2.6373 0.3331 0.0045   -2.6157 0.4729 -0.0328
H7 -1.4732 1.3529 0.8774   -1.4146 1.4138 0.8777
Atom - Atom Distances (Å)
  C1 S2 S3 H4 H5 H6 H7
C1 1.8178 2.9945 3.3792 1.0984 1.0974 1.0989
S2 1.8178 2.0875 2.6157 2.4542 2.3916 2.4567
S3 2.9945 2.0875 1.3614 3.1348 3.9898 3.1821
H4 3.3792 2.6157 1.3614 3.8032 4.3356 3.1579
H5 1.0984 2.4542 3.1348 3.8032 1.7775 1.7804
H6 1.0974 2.3916 3.9898 4.3356 1.7775 1.7768
H7 1.0989 2.4567 3.1821 3.1579 1.7804 1.7768
Maximum atom distance is 4.3356Å 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 99.899
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H5 112.249 S2 C1 H6 107.672
S2 C1 H7 112.407 S2 S3 H4 96.369
H5 C1 H6 108.096 H5 C1 H7 108.250
H6 C1 H7 107.999

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