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Geometry for CH2CHSH (Ethenethiol) 1A' CS

1910171554
InChI=1S/C2H4S/c1-2-3/h2-3H,1H2 INChIKey=QDXBVEACAWKSFL-UHFFFAOYSA-N

MP2/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.3202 1.1548 0.0000   1.7330 0.2705 0.0000
C2 0.0000 0.8018 0.0000   0.6147 -0.5148 0.0000
S3 -0.7091 -0.8967 0.0000   -1.1427 0.0322 0.0000
H4 2.1318 0.4211 0.0000   1.6917 1.3639 0.0000
H5 1.6026 2.2118 0.0000   2.7246 -0.1917 0.0000
H6 -0.7883 1.5604 0.0000   0.6901 -1.6063 0.0000
H7 0.4780 -1.5855 0.0000   -0.9085 1.3845 0.0000
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.3665 2.8856 1.0941 1.0940 2.1471 2.8668
C2 1.3665 1.8406 2.1655 2.1345 1.0940 2.4347
S3 2.8856 1.8406 3.1317 3.8738 2.4584 1.3724
H4 1.0941 2.1655 3.1317 1.8673 3.1345 2.6003
H5 1.0940 2.1345 3.8738 1.8673 2.4780 3.9603
H6 2.1471 1.0940 2.4584 3.1345 2.4780 3.3912
H7 2.8668 2.4347 1.3724 2.6003 3.9603 3.3912
Maximum atom distance is 3.9603Å between atoms H5 and H7.
picture of Ethenethiol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 S3 127.630
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 121.126 C2 C1 H4 122.916
C2 C1 H5 119.931 C2 S3 H7 97.465
S3 C2 H6 111.244 H4 C1 H5 117.153

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