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Geometry for CH2CHSCHCH2 (Divinyl sulfide)

1910171554

PBE1PBE/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0137 -0.9769 -0.0027   0.0185 -0.9767 -0.0152
C2 1.0792 0.3706 0.3710   1.0798 0.3713 0.3688
C3 -1.5606 -0.1954 -0.0159   -1.5597 -0.2030 -0.0085
C4 2.2584 0.5509 -0.2148   2.2543 0.5648 -0.2221
C5 -1.8177 1.1044 -0.1330   -1.8239 1.0968 -0.1075
H6 0.7391 1.0052 1.1866   0.7417 0.9937 1.1946
H7 -2.3636 -0.9195 0.0930   -2.3584 -0.9324 0.0963
H8 2.9302 1.3309 0.1292   2.9244 1.3438 0.1275
H9 2.5955 -0.0730 -1.0364   2.5892 -0.0469 -1.0536
H10 -1.0358 1.8432 -0.2743   -1.0465 1.8413 -0.2443
H11 -2.8414 1.4615 -0.0983   -2.8492 1.4484 -0.0618
Atom - Atom Distances (Å)
  S1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.7580 1.7577 2.7236 2.7754 2.4226 2.3800 3.7215 2.9242 3.0213 3.7559
C2 1.7580 2.7274 1.3290 3.0306 1.0879 3.6871 2.0993 2.1158 2.6567 4.0966
C3 1.7577 2.7274 3.8964 1.3301 2.8594 1.0867 4.7454 4.2813 2.1209 2.0959
C4 2.7236 1.3290 3.8964 4.1144 2.1163 4.8600 1.0854 1.0852 3.5391 5.1818
C5 2.7754 3.0306 1.3301 4.1144 2.8790 2.1083 4.7606 4.6560 1.0850 1.0848
H6 2.4226 1.0879 2.8594 2.1163 2.8790 3.8114 2.4547 3.0904 2.4467 3.8313
H7 2.3800 3.6871 1.0867 4.8600 2.1083 3.8114 5.7524 5.1560 3.0871 2.4360
H8 3.7215 2.0993 4.7454 1.0854 4.7606 2.4547 5.7524 1.8551 4.0192 5.7776
H9 2.9242 2.1158 4.2813 1.0852 4.6560 3.0904 5.1560 1.8551 4.1759 5.7267
H10 3.0213 2.6567 2.1209 3.5391 1.0850 2.4467 3.0871 4.0192 4.1759 1.8539
H11 3.7559 4.0966 2.0959 5.1818 1.0848 3.8313 2.4360 5.7776 5.7267 1.8539
Maximum atom distance is 5.7776Å between atoms H8 and H11.
picture of Divinyl sulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 C4 123.232 S1 C3 C5 127.463
C2 S1 C3 101.752
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H6 114.641 S1 C3 H7 111.399
C2 C4 H8 120.460 C2 C4 H9 122.094
C3 C5 H10 122.517 C3 C5 H11 120.088
C4 C2 H6 121.923 C5 C3 H7 121.137
H8 C4 H9 117.441 H10 C5 H11 117.392

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