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Geometry for CH2CS (Thioketene) 1A1 C2V

1910171554
InChI=1S/C2H2S/c1-2-3/h1H2 INChIKey=CWMKZYCJCZVSHO-UHFFFAOYSA-N

PBEPBEultrafine/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.7612   -1.7612 0.0000 0.0000
C2 0.0000 0.0000 -0.4492   -0.4492 0.0000 0.0000
S3 0.0000 0.0000 1.1188   1.1188 0.0000 0.0000
H4 0.0000 0.9372 -2.3190   -2.3190 0.9372 0.0000
H5 0.0000 -0.9372 -2.3190   -2.3190 -0.9372 0.0000
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5
C1 1.3121 2.8800 1.0906 1.0906
C2 1.3121 1.5680 2.0915 2.0915
S3 2.8800 1.5680 3.5632 3.5632
H4 1.0906 2.0915 3.5632 1.8744
H5 1.0906 2.0915 3.5632 1.8744
Maximum atom distance is 3.5632Å between atoms S3 and H4.
picture of Thioketene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 S3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 120.758 C2 C1 H5 120.758
H4 C1 H5 118.484

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