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Geometry for C4H6OS (Vinyl sulfoxide) 1A' CS

1910171554
InChI=1S/C4H6OS/c1-3-6(5)4-2/h3-4H,1-2H2 INChIKey=HQSMEHLVLOGBCK-UHFFFAOYSA-N

B2PLYP/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.5929 -0.5324 0.0000   0.0000 0.3904 -0.6946
O2 1.3058 0.7904 0.0000   0.0000 1.4905 0.3290
C3 -0.6224 -0.4768 1.3285   1.3285 -0.7426 -0.2515
C4 -0.6224 -0.4768 -1.3285   -1.3285 -0.7426 -0.2515
C5 -0.6224 0.5546 2.1579   2.1579 -0.4112 0.7252
C6 -0.6224 0.5546 -2.1579   -2.1579 -0.4112 0.7252
H7 -1.2578 -1.3479 1.4150   1.4150 -1.6242 -0.8723
H8 -1.2578 -1.3479 -1.4150   -1.4150 -1.6242 -0.8723
H9 -1.3027 0.6027 2.9953   2.9953 -1.0400 0.9893
H10 -1.3027 0.6027 -2.9953   -2.9953 -1.0400 0.9893
H11 0.0627 1.3754 1.9960   1.9960 0.5013 1.2824
H12 0.0627 1.3754 -1.9960   -1.9960 0.5013 1.2824
Atom - Atom Distances (Å)
  S1 O2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12
S1 1.5026 1.8014 1.8014 2.7047 2.7047 2.4683 2.4683 3.7220 3.7220 2.8116 2.8116
O2 1.5026 2.6625 2.6625 2.9035 2.9035 3.6259 3.6259 3.9763 3.9763 2.4231 2.4231
C3 1.8014 2.6625 2.6570 1.3235 3.6358 1.0817 2.9478 2.0991 4.5081 2.0846 3.8668
C4 1.8014 2.6625 2.6570 3.6358 1.3235 2.9478 1.0817 4.5081 2.0991 3.8668 2.0846
C5 2.7047 2.9035 1.3235 3.6358 4.3159 2.1390 4.0974 1.0799 5.1981 1.0814 4.2893
C6 2.7047 2.9035 3.6358 1.3235 4.3159 4.0974 2.1390 5.1981 1.0799 4.2893 1.0814
H7 2.4683 3.6259 1.0817 2.9478 2.1390 4.0974 2.8300 2.5108 4.8226 3.0819 4.5602
H8 2.4683 3.6259 2.9478 1.0817 4.0974 2.1390 2.8300 4.8226 2.5108 4.5602 3.0819
H9 3.7220 3.9763 2.0991 4.5081 1.0799 5.1981 2.5108 4.8226 5.9905 1.8601 5.2320
H10 3.7220 3.9763 4.5081 2.0991 5.1981 1.0799 4.8226 2.5108 5.9905 5.2320 1.8601
H11 2.8116 2.4231 2.0846 3.8668 1.0814 4.2893 3.0819 4.5602 1.8601 5.2320 3.9920
H12 2.8116 2.4231 3.8668 2.0846 4.2893 1.0814 4.5602 3.0819 5.2320 1.8601 3.9920
Maximum atom distance is 5.9905Å between atoms H9 and H10.
picture of Vinyl sulfoxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 C5 119.093 S1 C4 C6 119.093
O2 S1 C3 107.032 O2 S1 C4 107.032
C3 S1 C4 95.036
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H7 115.493 S1 C4 H8 115.493
C3 C5 H9 121.375 C3 C5 H11 119.846
C4 C6 H10 121.375 C4 C6 H12 119.846
C5 C3 H7 125.273 C6 C4 H8 125.273
H9 C5 H11 118.777 H10 C6 H12 118.777

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