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Geometry for CH2CHSCHCH2 (Divinyl sulfide)

1910171554

HF/6-31G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0116 -0.9828 0.0007   -0.0031 -0.9828 -0.0075
C2 1.1104 0.3423 0.4049   -1.1157 0.3354 -0.3959
C3 -1.5622 -0.1799 -0.0364   1.5639 -0.1665 0.0259
C4 2.2326 0.5687 -0.2470   -2.2359 0.5475 0.2643
C5 -1.8157 1.1111 -0.1157   1.8067 1.1261 0.1126
H6 0.8399 0.9179 1.2734   -0.8555 0.9193 -1.2620
H7 -2.3665 -0.8934 0.0134   2.3740 -0.8726 -0.0338
H8 2.9173 1.3272 0.0898   -2.9292 1.3022 -0.0632
H9 2.5090 0.0057 -1.1204   -2.5022 -0.0240 1.1353
H10 -1.0428 1.8540 -0.1876   1.0277 1.8617 0.1943
H11 -2.8330 1.4595 -0.1148   2.8208 1.4833 0.1081
Atom - Atom Distances (Å)
  S1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.7682 1.7671 2.7205 2.7816 2.4328 2.3798 3.7130 2.9105 3.0323 3.7509
C2 1.7682 2.7586 1.3174 3.0699 1.0765 3.7106 2.0819 2.0967 2.6967 4.1314
C3 1.7671 2.7586 3.8736 1.3181 2.9480 1.0764 4.7278 4.2171 2.1046 2.0757
C4 2.7205 1.3174 3.8736 4.0866 2.0912 4.8329 1.0759 1.0752 3.5190 5.1450
C5 2.7816 3.0699 1.3181 4.0866 3.0032 2.0829 4.7424 4.5755 1.0745 1.0752
H6 2.4328 1.0765 2.9480 2.0912 3.0032 3.8922 2.4257 3.0575 2.5603 3.9637
H7 2.3798 3.7106 1.0764 4.8329 2.0829 3.8922 5.7319 5.0857 3.0564 2.4021
H8 3.7130 2.0819 4.7278 1.0759 4.7424 2.4257 5.7319 1.8378 4.0045 5.7554
H9 2.9105 2.0967 4.2171 1.0752 4.5755 3.0575 5.0857 1.8378 4.1112 5.6269
H10 3.0323 2.6967 2.1046 3.5190 1.0745 2.5603 3.0564 4.0045 4.1112 1.8346
H11 3.7509 4.1314 2.0757 5.1450 1.0752 3.9637 2.4021 5.7554 5.6269 1.8346
Maximum atom distance is 5.7554Å 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 123.023 S1 C3 C5 128.142
C2 S1 C3 102.576
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H6 115.408 S1 C3 H7 111.303
C2 C4 H8 120.550 C2 C4 H9 122.073
C3 C5 H10 122.877 C3 C5 H11 119.951
C4 C2 H6 121.424 C5 C3 H7 120.555
H8 C4 H9 117.373 H10 C5 H11 117.172

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