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Geometry for HSCH2SH (Methanedithiol) 1A C2

1910171554
InChI=1S/CH4S2/c2-1-3/h2-3H,1H2 INChIKey=INBDPOJZYZJUDA-UHFFFAOYSA-N

B2PLYP=FULL/aug-cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7860   0.0000 0.7860 0.0000
S2 0.0000 1.5560 -0.1810   1.5557 -0.1810 -0.0285
S3 0.0000 -1.5560 -0.1810   -1.5557 -0.1810 0.0285
H4 0.8869 -0.0542 1.4270   -0.0380 1.4270 0.8877
H5 -0.8869 0.0542 1.4270   0.0380 1.4270 -0.8877
H6 1.1214 1.2911 -0.8897   1.3115 -0.8897 1.0975
H7 -1.1214 -1.2911 -0.8897   -1.3115 -0.8897 -1.0975
Atom - Atom Distances (Å)
  C1 S2 S3 H4 H5 H6 H7
C1 1.8319 1.8319 1.0957 1.0957 2.3942 2.3942
S2 1.8319 3.1119 2.4423 2.3722 1.3527 3.1410
S3 1.8319 3.1119 2.3722 2.4423 3.1410 1.3527
H4 1.0957 2.4423 2.3722 1.7771 2.6892 3.3061
H5 1.0957 2.3722 2.4423 1.7771 3.3061 2.6892
H6 2.3942 1.3527 3.1410 2.6892 3.3061 3.4202
H7 2.3942 3.1410 1.3527 3.3061 2.6892 3.4202
Maximum atom distance is 3.4202Å between atoms H6 and H7.
picture of Methanedithiol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 S3 116.284
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 S2 H6 96.330 C1 S3 H7 96.330
S2 C1 H4 110.539 S2 C1 H5 105.474
S3 C1 H4 105.474 S3 C1 H5 110.539
H4 C1 H5 108.382

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