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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

MP3/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6344 0.6944 -0.0054   -1.5989 0.7726 -0.0177
S2 -0.4843 -0.7110 0.0152   -0.5181 -0.6869 -0.0080
S3 1.3526 0.2425 -0.0878   1.3640 0.1785 -0.0602
H4 1.5651 0.4466 1.2278   1.5630 0.3452 1.2628
H5 -1.4770 1.3117 -0.8905   -1.3965 1.3995 -0.8868
H6 -2.6414 0.2696 -0.0377   -2.6243 0.3978 -0.0758
H7 -1.5332 1.3027 0.8947   -1.4843 1.3569 0.8967
Atom - Atom Distances (Å)
  C1 S2 S3 H4 H5 H6 H7
C1 1.8161 3.0222 3.4379 1.0906 1.0933 1.0911
S2 1.8161 2.0722 2.6477 2.4284 2.3701 2.4350
S3 3.0222 2.0722 1.3482 3.1296 3.9944 3.2276
H4 3.4379 2.6477 1.3482 3.8066 4.3963 3.2316
H5 1.0906 2.4284 3.1296 3.8066 1.7801 1.7862
H6 1.0933 2.3701 3.9944 4.3963 1.7801 1.7790
H7 1.0911 2.4350 3.2276 3.2316 1.7862 1.7790
Maximum atom distance is 4.3963Å 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 101.815
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H5 110.845 S2 C1 H6 106.437
S2 C1 H7 111.307 S2 S3 H4 99.259
H5 C1 H6 109.195 H5 C1 H7 109.909
H6 C1 H7 109.055

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