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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

CID/cc-pCVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6286 0.6806 -0.0055   -1.5943 0.7574 -0.0176
S2 -0.4725 -0.7009 0.0146   -0.5053 -0.6778 -0.0081
S3 1.3388 0.2421 -0.0866   1.3501 0.1797 -0.0594
H4 1.5397 0.4404 1.2144   1.5375 0.3414 1.2487
H5 -1.4853 1.2853 -0.8891   -1.4071 1.3727 -0.8856
H6 -2.6209 0.2457 -0.0249   -2.6055 0.3708 -0.0626
H7 -1.5227 1.2865 0.8830   -1.4752 1.3391 0.8853
Atom - Atom Distances (Å)
  C1 S2 S3 H4 H5 H6 H7
C1 1.8016 3.0008 3.4036 1.0802 1.0835 1.0806
S2 1.8016 2.0446 2.6060 2.4057 2.3480 2.4097
S3 3.0008 2.0446 1.3313 3.1157 3.9602 3.1967
H4 3.4036 2.6060 1.3313 3.7801 4.3457 3.1944
H5 1.0802 2.4057 3.1157 3.7801 1.7656 1.7725
H6 1.0835 2.3480 3.9602 4.3457 1.7656 1.7646
H7 1.0806 2.4097 3.1967 3.1944 1.7725 1.7646
Maximum atom distance is 4.3457Å 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 102.373
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H5 110.686 S2 C1 H6 106.263
S2 C1 H7 110.966 S2 S3 H4 98.861
H5 C1 H6 109.364 H5 C1 H7 110.222
H6 C1 H7 109.244

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